Exact Mass: 285.097658

Exact Mass Matches: 285.097658

Found 500 metabolites which its exact mass value is equals to given mass value 285.097658, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Piperine

(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one

C17H19NO3 (285.1364864)


Piperine, also known as fema 2909, belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. Piperine is a pepper tasting compound. Piperine is found in the highest concentration within pepper (Piper nigrum) and many other Piper species. Piperine has also been detected, but not quantified, in dills and herbs and spices. Piperine is responsible for the hot taste of pepper. Piperine has been used in trials studying the treatment of Multiple Myeloma and Deglutition Disorders. It is used to impart pungent taste to brandy. Piperine is a N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum. It has a role as a NF-kappaB inhibitor, a plant metabolite, a food component and a human blood serum metabolite. It is a member of benzodioxoles, a N-acylpiperidine, a piperidine alkaloid and a tertiary carboxamide. It is functionally related to an (E,E)-piperic acid. Bioperine has been used in trials studying the treatment of Multiple Myeloma and Deglutition Disorders. Piperine is a natural product found in Macropiper, Piper boehmeriifolium, and other organisms with data available. See also: Black Pepper (part of) ... View More ... Constituent of pepper (Piper nigrum) and many other Piper subspecies (Piperaceae). It is used to impart pungent taste to brandy. Responsible for the hot taste of pepper. Flavour ingredient. Piperine is found in dill, herbs and spices, and pepper (spice). A N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum. Piperine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=94-62-2 (retrieved 2024-07-01) (CAS RN: 94-62-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Piperine, a natural alkaloid isolated from Piper nigrum L, inhibits P-glycoprotein and CYP3A4 activities with an IC50 value of 61.94±0.054 μg/mL in HeLa cell. Piperine, a natural alkaloid isolated from Piper nigrum L, inhibits P-glycoprotein and CYP3A4 activities with an IC50 value of 61.94±0.054 μg/mL in HeLa cell.

   

Letrozole

Letrozole, Pharmaceutical Secondary Standard; Certified Reference Material

C17H11N5 (285.1014406)


Letrozole is a member of triazoles and a nitrile. It has a role as an antineoplastic agent and an EC 1.14.14.14 (aromatase) inhibitor. Letrozole, or CGS 20267, is an oral non-steroidal type II aromatase inhibitor first described in the literature in 1990. It is a third generation aromatase inhibitor like [exemestane] and [anastrozole], meaning it does not significantly affect cortisol, aldosterone, and thyroxine. Letrozole was granted FDA approval on 25 July 1997. Letrozole is an Aromatase Inhibitor. The mechanism of action of letrozole is as an Aromatase Inhibitor. Letrozole is a nonsteroidal inhibitor of aromatase which effectively blocks estrogen synthesis in postmenopausal women and is used as therapy of estrogen receptor positive breast cancer, usually after resection and after failure of tamoxifen. Letrozole has been associated with a low rate of serum enzyme elevations during therapy and rare instances of clinically apparent liver injury. Letrozole is a nonsteroidal inhibitor of estrogen synthesis with antineoplastic activity. As a third-generation aromatase inhibitor, letrozole selectively and reversibly inhibits aromatase, which may result in growth inhibition of estrogen-dependent breast cancer cells. Aromatase, a cytochrome P-450 enzyme localized to the endoplasmic reticulum of the cell and found in many tissues including those of the premenopausal ovary, liver, and breast, catalyzes the aromatization of androstenedione and testosterone into estrone and estradiol, the final step in estrogen biosynthesis. Letrozole (INN, trade name Femara®) is an oral non-steroidal aromatase inhibitor that has been introduced for the adjuvant treatment of hormonally-responsive breast cancer. Estrogens are produced by the conversion of androgens through the activity of the aromatase enzyme. Letrozole blocks production of estrogens in this way by competitive, reversible binding to the heme of its cytochrome P450 unit. The action is specific, and letrozole does not reduce production of mineralo- or corticosteroids. In contrast, the antiestrogenic action of tamoxifen, the major medical therapy prior to the arrival of aromatase inhibitors, is due to its interfering with the estrogen receptor, rather than inhibiting estrogen production. Letrozole is approved by the United States Food and Drug Administration (FDA) for the treatment of local or metastatic breast cancer that is hormone receptor positive or has an unknown receptor status in postmenopausal women. Side effects include signs and symptoms of hypoestrogenism. There is concern that long term use may lead to osteoporosis, which is why prescriptions of Letrozole are often accompanied by prescriptions of osteoporosis-fighting medication such as Fosamax. Letrozole has shown to reduce estrogen levels by 98 percent while raising testosterone levels. The anti-estrogen action of letrozole is preferred by athletes and bodybuilders for use during a steroid cycle to reduce bloating due to excess water retention and prevent the formation of gynecomastia related breast tissue that is a side effect of some anabolic steroids. Usage above 2.5 mg/day is known to potentially temporarily kill sex drive. Above 5mg/day for extended periods may cause kidney problems. Letrozole has also been shown to delay the fusing of the growth plates in adolescents. This may boost the effectiveness of growth hormone, and thus Letrozole is used to treat adolescents and children with short stature. A triazole and benzonitrile derivative that is a selective non-steroidal aromatase inhibitor, similar to ANASTROZOLE. It is used in the treatment of metastatic or locally advanced breast cancer in postmenopausal women. See also: Letrozole; ribociclib succinate (component of). Letrozole (INN, trade name Femara) is an oral non-steroidal aromatase inhibitor that has been introduced for the adjuvant treatment of hormonally-responsive breast cancer L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BG - Aromatase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3585 Letrozole (CGS 20267) is a potent, selective, reversible and orally active non-steroidal inhibitor of aromatase, with an IC50 of 11.5 nM. Letrozole selective inhibits estrogen biosynthesis, and can be used for the research of breast cancer[1][2][3].

   

Machiline

7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-, (1R)-

C17H19NO3 (285.13648639999997)


(R)-coclaurine is a coclaurine. It is an enantiomer of a (S)-coclaurine. (R)-Coclaurine is a natural product found in Mezilaurus synandra, Stephania excentrica, and other organisms with data available.

   

Coclaurine

(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol

C17H19NO3 (285.13648639999997)


(S)-coclaurine is the (S)-enantiomer of coclaurine. It is a conjugate base of a (S)-coclaurinium. It is an enantiomer of a (R)-coclaurine. Coclaurine is a natural product found in Delphinium pentagynum, Damburneya salicifolia, and other organisms with data available. Coclaurine, also known as (r,s)-coclaurine or machiline, is a member of the class of compounds known as benzylisoquinolines. Benzylisoquinolines are organic compounds containing an isoquinoline to which a benzyl group is attached. Coclaurine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Coclaurine can be found in custard apple and soursop, which makes coclaurine a potential biomarker for the consumption of these food products. Coclaurine is a nicotinic acetylcholine receptor antagonist which has been isolated from a variety of plant sources including Nelumbo nucifera, Sarcopetalum harveyanum, Ocotea duckei, and others. It belongs to the class of tetrahydroisoquinoline alkaloids. Dimerization of coclaurine leads to the biscoclaurine alkaloids such as cepharanthine .

   

Aposcopolamine

Hyoscine Hydrobromide Imp. C (EP); Hyoscine Imp. C (EP); (1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl 2-Phenylprop-2-enoate; Apohyoscine; Hyoscine Hydrobromide Impurity C; Hyoscine Impurity C

C17H19NO3 (285.13648639999997)


Aposcopolamine is an alkaloid that can be isolated from Datura ferox. Aposcopolamin can closely binds with ACHE, ADRA2A and CHRM2. Aposcopolamine can be used for the research of Alzheimer's disease[1]. Aposcopolamine is an alkaloid that can be isolated from Datura ferox. Aposcopolamin can closely binds with ACHE, ADRA2A and CHRM2. Aposcopolamine can be used for the research of Alzheimer's disease[1]. Aposcopolamine is an alkaloid that can be isolated from Datura ferox. Aposcopolamin can closely binds with ACHE, ADRA2A and CHRM2. Aposcopolamine can be used for the research of Alzheimer's disease[1].

   

Norcodeine

(1S,5R,13R,14S,17R)-10-methoxy-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7,9,11(18),15-tetraen-14-ol

C17H19NO3 (285.13648639999997)


Norcodeine is a metabolite of codeine. Norcodeine is an opiate analogue that is the N-demethylated derivative of codeine. Norcodeine has relatively little opioid activity in its own right, but is formed as a metabolite of codeine following ingestion. (Wikipedia) D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist > C1657 - Opiate

   

Morphine

(1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol

C17H19NO3 (285.13648639999997)


Morphine, also known as (-)-morphine or morphine sulfate, is a member of the class of compounds known as morphinans. Morphinans are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic. Morphine is soluble (in water) and a very weakly acidic compound (based on its pKa). Morphine can be synthesized from morphinan. Morphine is also a parent compound for other transformation products, including but not limited to, myrophine, heroin, and codeine. Morphine can be found in a number of food items such as nanking cherry, eggplant, millet, and common hazelnut, which makes morphine a potential biomarker for the consumption of these food products. Morphine can be found primarily in blood and urine, as well as in human kidney and liver tissues. In humans, morphine is involved in several metabolic pathways, some of which include heroin action pathway, morphine metabolism pathway, heroin metabolism pathway, and codeine metabolism pathway. Morphine is a non-carcinogenic (not listed by IARC) potentially toxic compound. Morphine is a drug which is used for the relief and treatment of severe pain. The primary source of morphine is isolation from poppy straw of the opium poppy. In 2013, an estimated 523 000 kg of morphine were produced. About 45 000 kg were used directly for pain, a four-time increase over the last twenty years. Most use for this purpose was in the developed world. About 70\\% of morphine is used to make other opioids such as hydromorphone, oxymorphone, and heroin. It is a Schedule II drug in the United States, Class A in the United Kingdom, and Schedule I in Canada. It is on the World Health Organizations List of Essential Medicines, the most effective and safe medicines needed in a health system. Morphine is sold under many trade names . Primarily hepatic (90\\%), converted to dihydromorphinone and normorphineand is) also converted to morphine-3-glucuronide (M3G) and morphine-6-glucuronide. Virtually all morphine is converted to glucuronide metabolites; only a small fraction (less than 5\\%) of absorbed morphine is demethylated (DrugBank). In the treatment of morphine overdosage, primary attention should be given to the re- establishment of a patent airway and institution of assisted or controlled ventilation. Supportive measures (including oxygen, vasopressors) should be employed in the management of circulatory shock and pulmonary edema accompanying overdose as indicated. Cardiac arrest or arrhythmias may require cardiac massage or defibrillation. The pure opioid antagonists, such as naloxone, are specific antidotes against respiratory depression which results from opioid overdose. Naloxone should be administered intravenously; however, because its duration of action is relatively short, the patient must be carefully monitored until spontaneous respiration is reliably re-established. If the response to naloxone is suboptimal or not sustained, additional naloxone may be administered, as needed, or given by continuous infusion to maintain alertness and respiratory function; however, there is no information available about the cumulative dose of naloxone that may be safely administered (L1712) (T3DB). Morphine is the principal alkaloid in opium and the prototype opiate analgesic and narcotic. In 2017, morphine was the 155th most commonly prescribed medication in the United States, with more than four million prescriptions. Morphine is used primarily to treat both acute and chronic severe pain. Its duration of analgesia is about three to seven hours. A large overdose of morphine can cause asphyxia and death by respiratory depression if the person does not receive medical attention immediately. Morphine is naturally produced by several plants (such as the opium poppy) and animals (PMID: 22578954). Morphine was first isolated between 1803 and 1805 by Friedrich Sertürner. Sertürner originally named the substance morphium after the Greek god of dreams, Morpheus, as it has a tendency to cause sleep. The primary source of morphine is isolation from poppy straw of the opium poppy. Morphine is also endogenously produced by humans. In the mid 2000s it was found morphine can be synthesized by white blood cells (PMID 22578954). CYP2D6, a cytochrome P450 isoenzyme, catalyzes the biosynthesis of morphine from codeine and dopamine from tyramine. The morphine biosynthetic pathway in humans occurs as follows: L-tyrosine -> para-tyramine or L-DOPA -> dopamine -> (S)-norlaudanosoline -> (S)-reticuline -> 1,2-dehydroretinulinium -> (R)-reticuline -> salutaridine -> salutaridinol -> thebaine -> neopinone -> codeinone -> codeine -> morphine. (S)-Norlaudanosoline (also known as tetrahydropapaveroline) which is an important intermediate in the WBC biosynthesis of morphine can also be synthesized from 3,4-dihydroxyphenylacetaldehyde (DOPAL), a metabolite of L-DOPA and dopamine. Morphine has widespread effects in the central nervous system and on smooth muscle (PMID: 4582903). The precise mechanism of the analgesic action of morphine is not fully known. However, specific CNS opiate receptors have been identified and likely play a role in the induction of analgesic effects. Morphine first acts on the mu-opioid receptors. The mechanism of respiratory depression involves a reduction in the responsiveness of the brain stem respiratory centers to increases in carbon dioxide tension and electrical stimulation. It has been shown that morphine binds to and inhibits GABA inhibitory interneurons. These interneurons normally inhibit the descending pain inhibition pathway. So, without the inhibitory signals, pain modulation can proceed downstream. When the dose of morphine is reduced after long-term use, opioid withdrawal symptoms such as drowsiness, vomiting, and constipation may also occur (PMID: 23244430). Morphine is only found in easily detectable quantities in individuals that have used or taken this drug. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist > C1657 - Opiate N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 0.056 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; EAWAG_UCHEM_ID 2744 CONFIDENCE standard compound; INTERNAL_ID 1580

   

Probenecid

4-((Dipropylamino)sulphonyl)benzoic acid

C13H19NO4S (285.1034734)


The prototypical uricosuric agent. It inhibits the renal excretion of organic anions and reduces tubular reabsorption of urate. Probenecid has also been used to treat patients with renal impairment, and, because it reduces the renal tubular excretion of other drugs, has been used as an adjunct to antibacterial therapy. [PubChem] CONFIDENCE standard compound; INTERNAL_ID 208; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4243; ORIGINAL_PRECURSOR_SCAN_NO 4241 CONFIDENCE standard compound; INTERNAL_ID 208; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4209; ORIGINAL_PRECURSOR_SCAN_NO 4206 CONFIDENCE standard compound; INTERNAL_ID 208; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4239; ORIGINAL_PRECURSOR_SCAN_NO 4234 ORIGINAL_PRECURSOR_SCAN_NO 4241; CONFIDENCE standard compound; INTERNAL_ID 208; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4243 CONFIDENCE standard compound; INTERNAL_ID 208; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4238; ORIGINAL_PRECURSOR_SCAN_NO 4234 CONFIDENCE standard compound; INTERNAL_ID 208; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4245; ORIGINAL_PRECURSOR_SCAN_NO 4243 CONFIDENCE standard compound; INTERNAL_ID 208; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4200; ORIGINAL_PRECURSOR_SCAN_NO 4198 M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AB - Preparations increasing uric acid excretion D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents C26170 - Protective Agent > C921 - Uricosuric Agent D010592 - Pharmaceutic Aids

   

Hydromorphone

(1S,5R,13R,17R)-10-hydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10-trien-14-one

C17H19NO3 (285.13648639999997)


Hydromorphone is only found in individuals that have used or taken this drug. It is an opioid analgesic derived from morphine and used mainly as an analgesic. It has a shorter duration of action and is more potent than morphine. [PubChem]Hydromorphone is a narcotic analgesic; its principal therapeutic effect is relief of pain. Hydromorphone interacts predominantly with the opioid mu-receptors. These mu-binding sites are discretely distributed in the human brain, with high densities in the posterior amygdala, hypothalamus, thalamus, nucleus caudatus, putamen, and certain cortical areas. They are also found on the terminal axons of primary afferents within laminae I and II (substantia gelatinosa) of the spinal cord and in the spinal nucleus of the trigeminal nerve. In clinical settings, Hydromorphone exerts its principal pharmacological effect on the central nervous system and gastrointestinal tract. Hydromorphone also binds with kappa-receptors which are thought to mediate spinal analgesia, miosis and sedation. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics

   

Leucomethylene blue

N3,N3,N7,N7-tetramethyl-10H-phenothiazine-3,7-diamine

C16H19N3S (285.1299614)


C26170 - Protective Agent > C1509 - Neuroprotective Agent

   
   
   

Arborinine

9(10H)-Acridinone, 1-hydroxy-2,3-dimethoxy-10-methyl- (9ci)

C16H15NO4 (285.100103)


Arborinine is found in herbs and spices. Arborinine is an alkaloid from Ruta graveolens (rue

   

Apohyoscine

1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, atropate (ester)

C17H19NO3 (285.13648639999997)


Aposcopolamine is an alkaloid that can be isolated from Datura ferox. Aposcopolamin can closely binds with ACHE, ADRA2A and CHRM2. Aposcopolamine can be used for the research of Alzheimer's disease[1]. Aposcopolamine is an alkaloid that can be isolated from Datura ferox. Aposcopolamin can closely binds with ACHE, ADRA2A and CHRM2. Aposcopolamine can be used for the research of Alzheimer's disease[1]. Aposcopolamine is an alkaloid that can be isolated from Datura ferox. Aposcopolamin can closely binds with ACHE, ADRA2A and CHRM2. Aposcopolamine can be used for the research of Alzheimer's disease[1].

   
   

HC Blue no. 2

2,2-[[4-[(2-Hydroxyethyl)amino]-3-nitrophenyl]imino]bis-ethanol

C12H19N3O5 (285.1324644)


   

MFCD00049038

5-Deoxy-5-chloroadenosine

C10H12ClN5O3 (285.06286320000004)


   

Fludarabine

Fludarabine Base

C10H12FN5O4 (285.08732840000005)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2150 - Ribonucleotide Reductase Inhibitor D000970 - Antineoplastic Agents Fludarabine (NSC 118218) is a DNA synthesis inhibitor and a fluorinated purine analogue with antineoplastic activity in lymphoproliferative malignancies. Fludarabine inhibits the cytokine-induced activation of STAT1 and STAT1-dependent gene transcription in normal resting or activated lymphocytes[1][2][3][4].

   

Vidarabine monohydrate

Vidarabine monohydrate

C10H15N5O5 (285.10731400000003)


D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent D009676 - Noxae > D000963 - Antimetabolites Vidarabine monohydrate is an adenine arabinoside. Vidarabine monohydrate an antiviral agent which is active against herpes simplex viruses (HSV) and varicella zoster viruses[1].

   

Coclaurine

6-Methoxy-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

C17H19NO3 (285.13648639999997)


Coclaurine, also known as (r,s)-coclaurine or machiline, is a member of the class of compounds known as benzylisoquinolines. Benzylisoquinolines are organic compounds containing an isoquinoline to which a benzyl group is attached. Coclaurine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Coclaurine can be found in custard apple and soursop, which makes coclaurine a potential biomarker for the consumption of these food products. Coclaurine is a nicotinic acetylcholine receptor antagonist which has been isolated from a variety of plant sources including Nelumbo nucifera, Sarcopetalum harveyanum, Ocotea duckei, and others. It belongs to the class of tetrahydroisoquinoline alkaloids. Dimerization of coclaurine leads to the biscoclaurine alkaloids such as cepharanthine .

   

N-Acetylcytidine

N(4)-acetylcytidine

C11H15N3O6 (285.096081)


Cytidine in which one of the exocyclic amino hydrogens is substituted by an acetyl group. N4-Acetylcytidine is an endogenous metabolite. N4-Acetylcytidine is an endogenous metabolite.

   

4-nitrophenyl-alpha-l-fucopyranoside

p-Nitrophenyl 6-deoxy-alpha-L-galactopyranoside

C12H15NO7 (285.08484799999997)


   

N4-Acetylcytidine

N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}acetamide

C11H15N3O6 (285.096081)


N4-Acetylcytidine is a modified nucleoside. N4-acetylcytidine is an endogenous urinary nucleoside product of the degradation of transfer ribonucleic acid (tRNA); urinary nucleosides are biological markers for patients with colorectal cancer. tRNA has been shown to be excreted in abnormal amounts in the urine of cancer patients. tRNA from neoplastic tissue had a much more rapid turnover rate than the tRNA from the corresponding normal tissue. Evidence indicates that methylation of tRNA occurs only after synthesis of the intact macromolecule. Because there are no specific enzyme systems to incorporate the modified nucleosides into the macromolecular nucleic acid, these nucleosides once released in the process of tRNA turnover cannot be reutilized, nor are they further degraded, but are excreted in urine. (PMID: 15991285, 3506820) [HMDB] N4-Acetylcytidine is a modified nucleoside. N4-acetylcytidine is an endogenous urinary nucleoside product of the degradation of transfer ribonucleic acid (tRNA); urinary nucleosides are biological markers for patients with colorectal cancer. tRNA has been shown to be excreted in abnormal amounts in the urine of cancer patients. tRNA from neoplastic tissue had a much more rapid turnover rate than the tRNA from the corresponding normal tissue. Evidence indicates that methylation of tRNA occurs only after synthesis of the intact macromolecule. Because there are no specific enzyme systems to incorporate the modified nucleosides into the macromolecular nucleic acid, these nucleosides once released in the process of tRNA turnover cannot be reutilized, nor are they further degraded, but are excreted in urine. (PMID: 15991285, 3506820). N4-Acetylcytidine is an endogenous metabolite. N4-Acetylcytidine is an endogenous metabolite.

   

Isothipendyl

dimethyl(1-{9-thia-2,4-diazatricyclo[8.4.0.0³,⁸]tetradeca-1(14),3(8),4,6,10,12-hexaen-2-yl}propan-2-yl)amine

C16H19N3S (285.1299614)


Isothipendyl is only found in individuals that have used or taken this drug. It is an antihistamine and anticholinergic used as an antipruritic.Isothipendyl is a selective histamine H1 antagonist and binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine. D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   

Cladribine

(2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

C10H12ClN5O3 (285.06286320000004)


Cladribine is only found in individuals that have used or taken this drug. It is an antineoplastic agent used in the treatment of lymphoproliferative diseases including hairy-cell leukemia. [PubChem]Cladribine is structurally related to fludarabine and pentostatin but has a different mechanism of action. Although the exact mechanism of action has not been fully determined, evidence shows that cladribine is phosphorylated by deoxycytidine kinase to the nucleotidecladribine triphosphate (CdATP; 2-chloro-2′-deoxyadenosine 5′-triphosphate), which accumulates and is incorporated into DNA in cells such as lymphocytes that contain high levels of deoxycytidine kinase and low levels of deoxynucleotidase, resulting in DNA strand breakage and inhibition of DNA synthesis and repair. High levels of CdATP also appear to inhibit ribonucleotide reductase, which leads to an imbalance in triphosphorylated deoxynucleotide (dNTP) pools and subsequent DNA strand breaks, inhibition of DNA synthesis and repair, nicotinamide adenine dinucleotide (NAD) and ATP depletion, and cell death. Unlike other antimetabolite drugs, cladribine has cytotoxic effects on resting as well as proliferating lymphocytes. However, it does cause cells to accumulate at the G1/S phase junction, suggesting that cytotoxicity is associated with events critical to cell entry into S phase. It also binds purine nucleoside phosphorylase (PNP), however no relationship between this binding and a mechanism of action has been established. L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C471 - Enzyme Inhibitor > C2157 - Adenosine Deaminase Inhibitor C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D000970 - Antineoplastic Agents Cladribine (2-Chloro-2′-deoxyadenosine), a purine nucleoside analog, is an orally active adenosine deaminase inhibitor. Cladribine functions as an inhibitor of DNA synthesis to block the repair of the damaged DNA. Cladribine can inhibit DNA methylation. Cladribine has anti-lymphoma activity. Cladribine can be used for the research of several hematologic malignancies and multiple sclerosis[1][2].

   

7-Aminoclonazepam

7-amino-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-ol

C15H12ClN3O (285.0668852)


7-aminoclonazepam belongs to the family of Benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).

   

Secodemethylclausenamide

2,3-Dihydroxy-3-phenyl-N-(2-phenylethyl)propanimidate

C17H19NO3 (285.13648639999997)


Secodemethylclausenamide is found in fruits. Secodemethylclausenamide is an alkaloid from Clausena lansium (wampee). Alkaloid from Clausena lansium (wampee). Secodemethylclausenamide is found in fruits.

   

norhydrocodone

(1R,5S,13S,17S)-10-methoxy-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10-trien-14-one

C17H19NO3 (285.13648639999997)


norhydrocodone is a metabolite of hydrocodone. Hydrocodone or dihydrocodeinone is a semi-synthetic opioid derived from either of two naturally occurring opiates: codeine and thebaine. It is an orally active narcotic analgesic and antitussive. It is available in tablet, capsule, and syrup form. (Wikipedia) D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids

   

Erysopine

16-methoxy-10-azatetracyclo[8.7.0.0¹,¹³.0²,⁷]heptadeca-2(7),3,5,12,14-pentaene-4,5-diol

C17H19NO3 (285.13648639999997)


Erysopine is found in green vegetables. Erysopine is an alkaloid from Erythrina fusca (gallito

   

Glycylprolylhydroxyproline

(2S,4R)-1-[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid

C12H19N3O5 (285.1324644)


Glycylprolylhydroxyproline is a tripeptide that has been found in urine and blood serum (PMID 5134921). In growing children, higher level excretion of urinary hydroxyproline peptides (including glycylprolylhydroxyproline) has been observed (PMID 14105582). [HMDB] Glycylprolylhydroxyproline is a tripeptide that has been found in urine and blood serum (PMID: 5134921). In growing children, higher level excretion of urinary hydroxyproline peptides (including glycylprolylhydroxyproline) has been observed (PMID: 14105582).

   

(-)-Morphine

4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol

C17H19NO3 (285.13648639999997)


(-)-Morphine is found in green vegetables. (-)-Morphine is a principal alkaloid of opium (Papaver somniferum). Minor constituent of lettuce. Principal alkaloid of opium (Papaver somniferum). Minor constituent of lettuce. (-)-Morphine is found in green vegetables.

   

Faropenem

(+)-(5R,6S)-6-((1R)-1-Hydroxyethyl)-7-oxo-3-((2R)-tetrahydro-2-furyl)-4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid

C12H15NO5S (285.06709)


Faropenem is an orally active beta-lactam antibiotic belonging to the penem group. It is resistant to some forms of extended-spectrum beta-lactamase. It is available for oral use. Faropenem was developed by Daiichi Asubio Pharma, which markets it in two forms. The sodium salt faropenem sodium, available under the trade name Farom, has been marketed in Japan since 1997. (CID 636379 from PubChem) The prodrug form faropenem medoxomil (also known as faropenem daloxate) has been licensed from Daiichi Asubio Pharma by Replidyne, which plans to market it in conjunction with Forest Pharmaceuticals. The trade name proposed for the product was Orapem, but company officials recently announced this name was rejected by the FDA.

   

dimethylidenebutanedioylcarnitine

3-[(3-carboxy-2,3-dimethylidenepropanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C13H19NO6 (285.1212314)


dimethylidenebutanedioylcarnitine is an acylcarnitine. More specifically, it is an dimethylidenebutanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. dimethylidenebutanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine dimethylidenebutanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

(2E,4E)-Hexa-2,4-dienedioylcarnitine

3-[(5-carboxypenta-2,4-dienoyl)oxy]-4-(trimethylazaniumyl)butanoate

C13H19NO6 (285.1212314)


(2E,4E)-hexa-2,4-dienedioylcarnitine is an acylcarnitine. More specifically, it is an (2E,4E)-hexa-2,4-dienedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2E,4E)-hexa-2,4-dienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E,4E)-hexa-2,4-dienedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

Asenapine

17-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.0^{2,6}.0^{7,12}]octadeca-1(14),7,9,11,15,17-hexaene

C17H16ClNO (285.0920356)


   

2,5-Dioxopyrrolidin-1-yl quinolin-6-ylcarbamate

2,5-dioxopyrrolidin-1-yl N-(quinolin-6-yl)carbamate

C14H11N3O4 (285.0749526)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents

   

2-Chloro-3'-deoxyadenosine

2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-ol

C10H12ClN5O3 (285.06286320000004)


   

2-Fluoroadenosine

2-(6-amino-2-fluoro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C10H12FN5O4 (285.08732840000005)


   

3-Carbamyl-(3'-picolyl)-4-methoxy-1-benzamide

6-methoxy-N1-[(pyridin-3-yl)methyl]benzene-1,3-dicarboxamide

C15H15N3O3 (285.111336)


   

5-(4-Fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole

5-(4-Fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole

C14H8FN3O3 (285.054967)


   

Acetamide, N-hydroxy-N-(1-(4-(phenylmethoxy)phenyl)ethyl)-

Acetamide, N-hydroxy-N-(1-(4-(phenylmethoxy)phenyl)ethyl)-

C17H19NO3 (285.13648639999997)


D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors

   

arabinosyl-2-fluoroadenine

2-(6-amino-2-fluoro-7H-purin-8-yl)oxane-3,4,5-triol

C10H12FN5O4 (285.08732840000005)


   

4-(2-Methoxyphenyl)-2-((5-methyl-1H-imidazol-4-yl)methyl)thiazole

4-(2-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole

C15H15N3OS (285.093578)


   

cis-3,4',5-Trimethoxy-3'-aminostilbene

5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyaniline

C17H19NO3 (285.13648639999997)


   

Flunoxaprofen

2-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]propanoic acid

C16H12FNO3 (285.0801174)


   

Galanthaminone

9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-one

C17H19NO3 (285.13648639999997)


   

N-Benzoyl-L-tyrosine

2-{[hydroxy(phenyl)methylidene]amino}-3-(4-hydroxyphenyl)propanoate

C16H15NO4 (285.100103)


   

N-Norcodeine

10-methoxy-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7,9,11(18),15-tetraen-14-ol

C17H19NO3 (285.13648639999997)


   

5-(1,3-Benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one

5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one

C17H19NO3 (285.13648639999997)


   

Prothipendyl

dimethyl(3-{9-thia-2,4-diazatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaen-2-yl}propyl)amine

C16H19N3S (285.1299614)


C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics

   

2-Chloro-9-(2-deoxy-beta-D-arabinofuranosyl)adenine

5-(6-amino-2-chloro-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

C10H12ClN5O3 (285.06286320000004)


   

2-Amino-9-(6-oxo-1H-purin-9-yl)-1H-purin-6-one

2-Amino-9-(6-oxo-1H-purin-9-yl)-1H-purin-6-one

C10H7N9O2 (285.0722682)


   

2-(3-(Diallylamino)propionyl)benzothiophene

1-(1-benzothiophen-2-yl)-3-[bis(prop-2-en-1-yl)amino]propan-1-one

C17H19NOS (285.1187284)


   

3H-1,4-Benzodiazepin-2-amine, 7-chloro-5-phenyl-, 4-oxide

7-chloro-2-imino-5-phenyl-3,4-dihydro-2H-1,4-benzodiazepin-4-ol

C15H12ClN3O (285.0668852)


   

Theasaponin E3

(2S)-3-hydroxy-2-(2-nitrophenyl)-1,2,3,4-tetrahydroquinazolin-4-one

C14H11N3O4 (285.0749526)


Theasaponin e3 is a member of the class of compounds known as quinazolines. Quinazolines are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. Theasaponin e3 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Theasaponin e3 can be found in tea, which makes theasaponin e3 a potential biomarker for the consumption of this food product.

   

taxol side chain

(2R,3S)-3-(Benzoylamino)-2-hydroxy-3-phenylpropionic acid; (2R,3S)-N-Benzoyl-3-phenylisoserine; N-Benzoyl-(2R,3S)-3-phenylisoserine; Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, (alphaR,betaS)-; Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, [R-(R*,S*)]-; Taxol side chain acid

C16H15NO4 (285.100103)


N-Benzoyl-(2R,3S)-3-phenylisoserine is a Taxol C-13 Side Chain and crucial for the strong antitumor activity of Taxol[1].

   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

Isoeudistomin U

Isoeudistomin U

C19H15N3 (285.126591)


   
   
   
   
   

(2-Methyl-1H-indol-3-yl)(naphthalen-1-yl)methanone

(2-Methyl-1H-indol-3-yl)(naphthalen-1-yl)methanone

C20H15NO (285.115358)


   
   
   

1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C11H13Cl2N5 (285.0547958)


   
   
   
   
   

Piperine

Isopiperine

C17H19NO3 (285.13648639999997)


Constituent of pepper (Piper nigrum) (Piperaceae). Isopiperine is found in herbs and spices and pepper (spice). C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic Origin: Plant; SubCategory_DNP: Alkaloids derived from lysine, Piperidine alkaloids D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors Annotation level-1 MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; MXXWOMGUGJBKIW-YPCIICBESA-N_STSL_0203_Piperine_0031fmol_180831_S2_L02M02_45; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. relative retention time with respect to 9-anthracene Carboxylic Acid is 1.245 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.243 Piperine, a natural alkaloid isolated from Piper nigrum L, inhibits P-glycoprotein and CYP3A4 activities with an IC50 value of 61.94±0.054 μg/mL in HeLa cell. Piperine, a natural alkaloid isolated from Piper nigrum L, inhibits P-glycoprotein and CYP3A4 activities with an IC50 value of 61.94±0.054 μg/mL in HeLa cell.

   

O1-(3-amino-phenyl)-beta-D-glucopyranuronic acid|O1-(3-Amino-phenyl)-beta-D-glucopyranuronsaeure

O1-(3-amino-phenyl)-beta-D-glucopyranuronic acid|O1-(3-Amino-phenyl)-beta-D-glucopyranuronsaeure

C12H15NO7 (285.08484799999997)


   
   

8-isopropenyl-10-methyl-7,10-dihydro-8H-[1,3]dioxolo[4,5-h]furo[2,3-b]quinolin-6-one|Ptelefolidon|Ptelefolidone

8-isopropenyl-10-methyl-7,10-dihydro-8H-[1,3]dioxolo[4,5-h]furo[2,3-b]quinolin-6-one|Ptelefolidon|Ptelefolidone

C16H15NO4 (285.100103)


   

2,4-dimethyl-3-pyrrolylcarbonyl alpha-L-rhamnopyranoside

2,4-dimethyl-3-pyrrolylcarbonyl alpha-L-rhamnopyranoside

C13H19NO6 (285.1212314)


   
   
   

Moiramide A|octatrienyl-D-beta-phenylalanine

Moiramide A|octatrienyl-D-beta-phenylalanine

C17H19NO3 (285.13648639999997)


   
   
   
   
   
   
   

(E)-2-[(3-Indole)cyanomethylene]-3-indolinone

(E)-2-[(3-Indole)cyanomethylene]-3-indolinone

C18H11N3O (285.0902076)


   

3-hydroxy-2,4-dimethoxy-10-methyl-10H-acridin-9-one|3-hydroxy-2,4-dimethoxy-10-methyl-9-acridinone

3-hydroxy-2,4-dimethoxy-10-methyl-10H-acridin-9-one|3-hydroxy-2,4-dimethoxy-10-methyl-9-acridinone

C16H15NO4 (285.100103)


   

2,5-Dioxo-3-isopropyl-1H-pyrrole-1-propanoic acid 2,3-dihydroxypropyl ester

2,5-Dioxo-3-isopropyl-1H-pyrrole-1-propanoic acid 2,3-dihydroxypropyl ester

C13H19NO6 (285.1212314)


   
   
   

iteamine|o-aminobenzyl beta-D-glucopyranoside

iteamine|o-aminobenzyl beta-D-glucopyranoside

C13H19NO6 (285.1212314)


   

1-Hydroxy-3,4-dimethoxy-10-methylacridan-9-one

1-Hydroxy-3,4-dimethoxy-10-methylacridan-9-one

C16H15NO4 (285.100103)


   

4-hydroxyphenethyl 3-oxo-2,3-dihydro-1H-pyrrolizine-2-carboxylate

4-hydroxyphenethyl 3-oxo-2,3-dihydro-1H-pyrrolizine-2-carboxylate

C16H15NO4 (285.100103)


   
   
   
   
   

1-Hydroxy-2,3-dimethoxy-10-methylacridan-9-on

1-Hydroxy-2,3-dimethoxy-10-methylacridan-9-on

C16H15NO4 (285.100103)


   

2-[(Benzyloxy)amino]-3-phenylpropanoic acid methyl ester

2-[(Benzyloxy)amino]-3-phenylpropanoic acid methyl ester

C17H19NO3 (285.13648639999997)


   
   

4,9-anhydro-11-deoxyTTX

4,9-anhydro-11-deoxyTTX

C11H15N3O6 (285.096081)


   

4a,N-didehydronoraugustamine

4a,N-didehydronoraugustamine

C16H15NO4 (285.100103)


   

7,8-Dehydrorutaecarpine

7,8-Dehydrorutaecarpine

C18H11N3O (285.0902076)


   

1-Hydroxy-3,5-dimethoxy-10-methylacridine-9(10H)-one

1-Hydroxy-3,5-dimethoxy-10-methylacridine-9(10H)-one

C16H15NO4 (285.100103)


   
   

2-Aminophenyl b-D-glucuronide HCl

2-Aminophenyl b-D-glucuronide HCl

C12H15NO7 (285.08484799999997)


   
   
   
   

Cladribine

Cladribine

C10H12ClN5O3 (285.06286320000004)


L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C471 - Enzyme Inhibitor > C2157 - Adenosine Deaminase Inhibitor C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2617; ORIGINAL_PRECURSOR_SCAN_NO 2616 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2634; ORIGINAL_PRECURSOR_SCAN_NO 2632 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2626; ORIGINAL_PRECURSOR_SCAN_NO 2625 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2623; ORIGINAL_PRECURSOR_SCAN_NO 2621 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2643; ORIGINAL_PRECURSOR_SCAN_NO 2642 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2641; ORIGINAL_PRECURSOR_SCAN_NO 2639 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5653; ORIGINAL_PRECURSOR_SCAN_NO 5650 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5671; ORIGINAL_PRECURSOR_SCAN_NO 5668 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5700; ORIGINAL_PRECURSOR_SCAN_NO 5699 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5680; ORIGINAL_PRECURSOR_SCAN_NO 5677 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5706; ORIGINAL_PRECURSOR_SCAN_NO 5702 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5693; ORIGINAL_PRECURSOR_SCAN_NO 5691 Cladribine (2-Chloro-2′-deoxyadenosine), a purine nucleoside analog, is an orally active adenosine deaminase inhibitor. Cladribine functions as an inhibitor of DNA synthesis to block the repair of the damaged DNA. Cladribine can inhibit DNA methylation. Cladribine has anti-lymphoma activity. Cladribine can be used for the research of several hematologic malignancies and multiple sclerosis[1][2].

   

probenecid

Probenecid (Benemid)

C13H19NO4S (285.1034734)


M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AB - Preparations increasing uric acid excretion D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents C26170 - Protective Agent > C921 - Uricosuric Agent D010592 - Pharmaceutic Aids

   

2-hydroxy-1,3-dimethoxy-10-methylacridin-9-one

NCGC00384962-01!2-hydroxy-1,3-dimethoxy-10-methylacridin-9-one

C16H15NO4 (285.100103)


   

norcodeine

N-Desmethylcodeine

C17H19NO3 (285.13648639999997)


D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist > C1657 - Opiate A morphinane-like compound that is the N-demethylated derivative of codeine.

   

C16H15NO4_2(1H)-Quinolinone, 3,4-dihydro-3,4-dihydroxy-4-(4-methoxyphenyl)

NCGC00169065-03_C16H15NO4_2(1H)-Quinolinone, 3,4-dihydro-3,4-dihydroxy-4-(4-methoxyphenyl)-

C16H15NO4 (285.100103)


   

chavicine

NCGC00094872-09_C17H19NO3_(2E,4E)-5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4-pentadien-1-one

C17H19NO3 (285.13648639999997)


   
   

hydromorphone

hydromorphone

C17H19NO3 (285.13648639999997)


A morphinane alkaloid that is a hydrogenated ketone derivative of morphine. A semi-synthetic drug, it is a centrally acting pain medication of the opioid class. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics

   

N4-Acetylcytidine

N4-Acetylcytidine

C11H15N3O6 (285.096081)


CONFIDENCE standard compound; INTERNAL_ID 309

   
   
   

2-hydroxy-1,3-dimethoxy-10-methylacridin-9-one [IIN-based: Match]

NCGC00384962-01!2-hydroxy-1,3-dimethoxy-10-methylacridin-9-one [IIN-based: Match]

C16H15NO4 (285.100103)


   

2-hydroxy-1,3-dimethoxy-10-methylacridin-9-one [IIN-based on: CCMSLIB00000848955]

NCGC00384962-01!2-hydroxy-1,3-dimethoxy-10-methylacridin-9-one [IIN-based on: CCMSLIB00000848955]

C16H15NO4 (285.100103)


   
   
   

1-Pyridylhydroxybutyl-hypoxanthine

1-Pyridylhydroxybutyl-hypoxanthine

C14H15N5O2 (285.122569)


   
   
   

Piperin

InChI=1\C17H19NO3\c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15\h2-3,6-9,12H,1,4-5,10-11,13H2\b6-2+,7-3

C17H19NO3 (285.13648639999997)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors Piperine, a natural alkaloid isolated from Piper nigrum L, inhibits P-glycoprotein and CYP3A4 activities with an IC50 value of 61.94±0.054 μg/mL in HeLa cell. Piperine, a natural alkaloid isolated from Piper nigrum L, inhibits P-glycoprotein and CYP3A4 activities with an IC50 value of 61.94±0.054 μg/mL in HeLa cell.

   

4-Acetylcytidine

4-Acetyl-1-(beta-delta-ribofuranosyl)cytosine

C11H15N3O6 (285.096081)


N4-Acetylcytidine is an endogenous metabolite. N4-Acetylcytidine is an endogenous metabolite.

   

Glycylprolylhydroxyproline

Glycylprolylhydroxyproline

C12H19N3O5 (285.1324644)


   

Isothipendyl

dimethyl(1-{9-thia-2,4-diazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3,5,7,11,13-hexaen-2-yl}propan-2-yl)amine

C16H19N3S (285.1299614)


D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   

Erysopine

12-methoxy-5H,6H,8H,12H,13H-indolo[7a,1-a]isoquinoline-2,3-diol

C17H19NO3 (285.13648639999997)


   

Secodemethylclausenamide

2,3-dihydroxy-3-phenyl-N-(2-phenylethyl)propanamide

C17H19NO3 (285.13648639999997)


   

(-)-Morphine

4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraene-10,14-diol

C17H19NO3 (285.13648639999997)


   

3,4-Dihydroxy-4-(4-methoxyphenyl)-3,4-dihydro-2(1H)-quinolinone

3,4-Dihydroxy-4-(4-methoxyphenyl)-3,4-dihydro-2(1H)-quinolinone

C16H15NO4 (285.100103)


   

2-(BENZOYLAMINO)-4-(METHYLSULFONYL)BUTANOIC ACID

2-(BENZOYLAMINO)-4-(METHYLSULFONYL)BUTANOIC ACID

C12H15NO5S (285.06709)


   
   

3-[[2-(3-methylphenoxy)acetyl]amino]benzoic acid

3-[[2-(3-methylphenoxy)acetyl]amino]benzoic acid

C16H15NO4 (285.100103)


   

4-HYDROXY-1-[(4-METHYLPHENYL)SULFONYL]-2-PYRROLIDINECARBOXYLIC ACID

4-HYDROXY-1-[(4-METHYLPHENYL)SULFONYL]-2-PYRROLIDINECARBOXYLIC ACID

C12H15NO5S (285.06709)


   

2-(3-(tert-butoxycarbonyl)phenyl)-3-Methylpyridin-1-ium hydroxide

2-(3-(tert-butoxycarbonyl)phenyl)-3-Methylpyridin-1-ium hydroxide

C17H19NO3 (285.13648639999997)


   

9-Benzyl-9H-carbazole-3-carbaldehyde

9-Benzyl-9H-carbazole-3-carbaldehyde

C20H15NO (285.115358)


   

3-AMINO-7-CHLORO-5-PHENYL-1,3-DIHYDRO-BENZO[E][1,4]DIAZEPIN-2-ONE

3-AMINO-7-CHLORO-5-PHENYL-1,3-DIHYDRO-BENZO[E][1,4]DIAZEPIN-2-ONE

C15H12ClN3O (285.0668852)


   

Epinastin HCl

Epinastine hydrochloride

C16H16ClN3 (285.1032686)


D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Epinastine hydrochloride (WAL801 hydrochloride) is an antihistamine and mast cell stabilizer. Epinastine hydrochloride is a potent, selective and orally-active histamine H1 receptor antagonist. Epinastine hydrochloride also inhibits IL-8 release and has an antiallergic action[1][2][3].

   
   

1-(Pyridin-3-ylmethyl)piperazine trihydrochloride

1-(Pyridin-3-ylmethyl)piperazine trihydrochloride

C10H18Cl3N3 (285.0566238)


   

coumarin 481

2H-1-Benzopyran-2-one, 7-(diethylamino)-4-(trifluoromethyl)-

C14H14F3NO2 (285.097658)


   

1,3-DIPHENYL-1,1,3,3-TETRAMETHYLDISILAZANE

1,3-DIPHENYL-1,1,3,3-TETRAMETHYLDISILAZANE

C16H23NSi2 (285.1368958)


   

4-MORPHOLIN-4-YL-2-PHENYL-BUTYRIC ACID HCL

4-MORPHOLIN-4-YL-2-PHENYL-BUTYRIC ACID HCL

C14H20ClNO3 (285.113164)


   

3-BENZO[1,3]DIOXOL-5-YL-3-(2-METHOXY-PHENYL)-PROPYLAMINE

3-BENZO[1,3]DIOXOL-5-YL-3-(2-METHOXY-PHENYL)-PROPYLAMINE

C17H19NO3 (285.13648639999997)


   

(2-Methyl-5-(morpholinosulfonyl)phenyl)boronic acid

(2-Methyl-5-(morpholinosulfonyl)phenyl)boronic acid

C11H16BNO5S (285.08421960000004)


   

flunoxaprofen

flunoxaprofen

C16H12FNO3 (285.0801174)


M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CC - Antiinflammatory products for vaginal administration C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents

   

Anirolac

5-(4-methoxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

C16H15NO4 (285.100103)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   

4-Pyridinecarboxylicacid, 2-[(3,4-dimethoxyphenyl)methylene]hydrazide

4-Pyridinecarboxylicacid, 2-[(3,4-dimethoxyphenyl)methylene]hydrazide

C15H15N3O3 (285.111336)


   

2-Fluoroadenosine

2-Fluoroadenosine

C10H12FN5O4 (285.08732840000005)


2-Fluoroadenosine (2FA) is a nucleoside analogue. 2-Fluoroadenosine has antibacterial activity with IC50 value of 0.842 mM for Vibrio microvibrio[1].

   
   

1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid

1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid

C12H15NO5S (285.06709)


   

Piperazine, 1-[4-(methylsulfonyl)-2-nitrophenyl]- (9CI)

Piperazine, 1-[4-(methylsulfonyl)-2-nitrophenyl]- (9CI)

C11H15N3O4S (285.078323)


   

9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid

9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid

C12H10F3N3O2 (285.0725076)


   

Methyl 2-[4-(4-piperidinyloxy)phenyl]acetatehydrochloride

Methyl 2-[4-(4-piperidinyloxy)phenyl]acetatehydrochloride

C14H20ClNO3 (285.113164)


   
   

(2R,4S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate

(2R,4S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate

C12H15NO5S (285.06709)


   
   

3-(5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-5-methyl-1,2,4-oxadiazole

3-(5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-5-methyl-1,2,4-oxadiazole

C14H15N5O2 (285.122569)


   

Methyl 3-(5-Methyl-2-(trifluoromethyl)-1H-indol-3-yl)propanoate

Methyl 3-(5-Methyl-2-(trifluoromethyl)-1H-indol-3-yl)propanoate

C14H14F3NO2 (285.097658)


   

(3S)-3-Benzyl-7a-(trifluoromethyl)tetrahydropyrrolo[2,1-b]oxa-zol-5(6H)-one

(3S)-3-Benzyl-7a-(trifluoromethyl)tetrahydropyrrolo[2,1-b]oxa-zol-5(6H)-one

C14H14F3NO2 (285.097658)


   

(3R)-3-Benzyl-7a-(trifluoromethyl)tetrahydropyrrolo[2,1-b]oxazol-5(6H)-one

(3R)-3-Benzyl-7a-(trifluoromethyl)tetrahydropyrrolo[2,1-b]oxazol-5(6H)-one

C14H14F3NO2 (285.097658)


   

3-(Boc-amino)-3-(3-chlorophenyl)-1-propanol

3-(Boc-amino)-3-(3-chlorophenyl)-1-propanol

C14H20ClNO3 (285.113164)


   

(S)-4-Benzyl-3-(4-fluorophenyl)morpholin-2-one

(S)-4-Benzyl-3-(4-fluorophenyl)morpholin-2-one

C17H16FNO2 (285.1165008)


   

ethyltrimethylplumbane

ethyltrimethylplumbane

C5H17Pb (285.1096592)


   

2-(3-(4-hydroxyphenyl)propanamido)benzoic acid

2-(3-(4-hydroxyphenyl)propanamido)benzoic acid

C16H15NO4 (285.100103)


   

5-Deoxy-5-fluoro-2,3-O-isopropylidene-D-cytidine

5-Deoxy-5-fluoro-2,3-O-isopropylidene-D-cytidine

C12H16FN3O4 (285.11247879999996)


   

N-(3-Methylsulphonyl-4-nitrophenyl)piperazine

N-(3-Methylsulphonyl-4-nitrophenyl)piperazine

C11H15N3O4S (285.078323)


   

4-(Methylsulfonyl)-3-morpholinobenzoic Acid

4-(Methylsulfonyl)-3-morpholinobenzoic Acid

C12H15NO5S (285.06709)


   

2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine-7,8-diamine

2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine-7,8-diamine

C13H14F3N3O (285.108891)


   

N-(2,4-DINITROPHENYL)-DL-THREONINE

N-(2,4-DINITROPHENYL)-DL-THREONINE

C10H11N3O7 (285.0596976)


   
   

N-BOC-N-METHYL-5-CHLOROANTHRANILICACID

N-BOC-N-METHYL-5-CHLOROANTHRANILICACID

C13H16ClNO4 (285.0767806)


   

ANTHRANILICACID,N-BOC-N-METHYL-4-CHLORO

ANTHRANILICACID,N-BOC-N-METHYL-4-CHLORO

C13H16ClNO4 (285.0767806)


   

1-(3-PYRROLIDINOPROYL)HOMOPIPERAZINE

1-(3-PYRROLIDINOPROYL)HOMOPIPERAZINE

C16H15NO2S (285.08234500000003)


   

1-(ISOCYANO(TOSYL)METHYL)-2-METHYLBENZENE

1-(ISOCYANO(TOSYL)METHYL)-2-METHYLBENZENE

C16H15NO2S (285.08234500000003)


   

3-(N-HEXYLSULFAMOYL)BENZOIC ACID

3-(N-HEXYLSULFAMOYL)BENZOIC ACID

C13H19NO4S (285.1034734)


   

5-METHOXY-3-(METHYLCARBAMOYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

5-METHOXY-3-(METHYLCARBAMOYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

C16H15NO4 (285.100103)


   

2-[4-(1-carboxyethyl)anilino]benzoic acid

2-[4-(1-carboxyethyl)anilino]benzoic acid

C16H15NO4 (285.100103)


   

7-nitro-4-(pyridin-2-ylmethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one

7-nitro-4-(pyridin-2-ylmethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one

C14H11N3O4 (285.0749526)


   

3-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid

3-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid

C16H15NO4 (285.100103)


   

5-(furan-2-yl)-3-p-tolyl-4,5-dihydro-1h-pyrazole-1-carbothioamide

5-(furan-2-yl)-3-p-tolyl-4,5-dihydro-1h-pyrazole-1-carbothioamide

C15H15N3OS (285.093578)


   
   
   

tert-butyl N-[(4-methylphenyl)sulfonylmethyl]carbamate

tert-butyl N-[(4-methylphenyl)sulfonylmethyl]carbamate

C13H19NO4S (285.1034734)


   

2-AMINO-6-CHLORO-9-(BETA-D-2-DEOXYRIBOFURANOSYL)PURINE

2-AMINO-6-CHLORO-9-(BETA-D-2-DEOXYRIBOFURANOSYL)PURINE

C10H12ClN5O3 (285.06286320000004)


   

Boc-(R)-3-Amino-4-(2-thienyl)-butyric acid

Boc-(R)-3-Amino-4-(2-thienyl)-butyric acid

C13H19NO4S (285.1034734)


   

Ethyl N-[(mesitylsulfonyl)oxy]ethanimidate

Ethyl N-[(mesitylsulfonyl)oxy]ethanimidate

C13H19NO4S (285.1034734)


   

N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

C17H19NO3 (285.13648639999997)


   

Leucine, N-[(4-methylphenyl)sulfonyl]-

Leucine, N-[(4-methylphenyl)sulfonyl]-

C13H19NO4S (285.1034734)


   

4-Nitrophenylrhamnoside

4-Nitrophenyl α-L-rhamnopyranoside

C12H15NO7 (285.08484799999997)


   

Ethyl 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate

Ethyl 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate

C13H10F3NO3 (285.0612746)


   

Methyl 8-methyl-4-oxo-5-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylate

Methyl 8-methyl-4-oxo-5-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylate

C13H10F3NO3 (285.0612746)


   

6-NITRO-4-(PYRIDINE-2-YLMETHYL)-1,4-BENZOXAZIN-3(4H)-ONE

6-NITRO-4-(PYRIDINE-2-YLMETHYL)-1,4-BENZOXAZIN-3(4H)-ONE

C14H11N3O4 (285.0749526)


   

Lanperisone

Lanperisone

C15H18F3NO (285.1340414)


C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant

   

1-pyridin-3-ylmethyl-pyrrolidin-3-ylamine trihydrochloride

1-pyridin-3-ylmethyl-pyrrolidin-3-ylamine trihydrochloride

C10H18Cl3N3 (285.0566238)


   

Benzeneacetic acid,2-chloro-a-[[(1,1-dimethylethoxy)carbonyl]amino]-

Benzeneacetic acid,2-chloro-a-[[(1,1-dimethylethoxy)carbonyl]amino]-

C13H16ClNO4 (285.0767806)


   
   
   

[5-chloro-2-(cyclopropylmethylamino)phenyl]-phenylmethanone

[5-chloro-2-(cyclopropylmethylamino)phenyl]-phenylmethanone

C17H16ClNO (285.0920356)


   

5-(2-Fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole

5-(2-Fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole

C14H8FN3O3 (285.054967)


   

(4-((((Benzyloxy)carbonyl)amino)methyl)phenyl)boronic acid

(4-((((Benzyloxy)carbonyl)amino)methyl)phenyl)boronic acid

C15H16BNO4 (285.1172326)


   

1-FURAN-2-YL-2-[2-(2-HYDROXY-ETHYLAMINO)-BENZOIMIDAZOL-1-YL]-ETHANONE

1-FURAN-2-YL-2-[2-(2-HYDROXY-ETHYLAMINO)-BENZOIMIDAZOL-1-YL]-ETHANONE

C15H15N3O3 (285.111336)


   

2-CHLORO-N-[2-(3,4-DIETHOXY-PHENYL)-ETHYL]-ACETAMIDE

2-CHLORO-N-[2-(3,4-DIETHOXY-PHENYL)-ETHYL]-ACETAMIDE

C14H20ClNO3 (285.113164)


   

Isoxazole,3-(4-chlorophenyl)-5-(4-methoxyphenyl)-

Isoxazole,3-(4-chlorophenyl)-5-(4-methoxyphenyl)-

C16H12ClNO2 (285.0556522)


   

1-[(4-chlorophenyl)methyl]-5-methylindole-2,3-dione

1-[(4-chlorophenyl)methyl]-5-methylindole-2,3-dione

C16H12ClNO2 (285.0556522)


   
   

4-nitrophenyl-beta-l-fucopyranoside

p-Nitrophenyl 6-deoxy-beta-L-galactopyranoside

C12H15NO7 (285.08484799999997)


   
   

4-AMINO-N-(2,3-DIMETHYLPHENYL)BENZAMIDE

4-AMINO-N-(2,3-DIMETHYLPHENYL)BENZAMIDE

C12H16ClN3O3 (285.08801359999995)


   

potassium 2-amino-2-methylpropionate octahydrate

potassium 2-amino-2-methylpropionate octahydrate

C4H24KNO10 (285.1037224)


   

Benzyl [(1S)-3-hydroxy-1-phenylpropyl]carbamate

Benzyl [(1S)-3-hydroxy-1-phenylpropyl]carbamate

C17H19NO3 (285.13648639999997)


   

(4-((4-METHOXYBENZYL)CARBAMOYL)PHENYL)BORONIC ACID

(4-((4-METHOXYBENZYL)CARBAMOYL)PHENYL)BORONIC ACID

C15H16BNO4 (285.1172326)


   
   

Methyl 7-fluoro-6-(phenylamino)-1H-benzo[d]imidazole-5-carboxylate

Methyl 7-fluoro-6-(phenylamino)-1H-benzo[d]imidazole-5-carboxylate

C15H12FN3O2 (285.0913504)


   

POTASSIUM [2-(BENZYLOXYCARBONYLAMINO)ETHYL] TRIFLUOROBORATE

POTASSIUM [2-(BENZYLOXYCARBONYLAMINO)ETHYL] TRIFLUOROBORATE

C10H12BF3KNO2 (285.0550218)


   

(S)-6-(PROPYLAMINO)-5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL HYDROBROMIDE

(S)-6-(PROPYLAMINO)-5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL HYDROBROMIDE

C13H20BrNO (285.07281700000004)


   

(s)-n-boc-(2-chlorophenyl)glycine

(s)-n-boc-(2-chlorophenyl)glycine

C13H16ClNO4 (285.0767806)


   
   

N-Boc-4-(Methylsulfonyl)benzylamine

N-Boc-4-(Methylsulfonyl)benzylamine

C13H19NO4S (285.1034734)


   
   

benzyl N-(1-hydroxy-2-oxo-2-phenylethyl)carbamate

benzyl N-(1-hydroxy-2-oxo-2-phenylethyl)carbamate

C16H15NO4 (285.100103)


   

N-(2-phenylphenyl)-1H-benzimidazol-2-amine

N-(2-phenylphenyl)-1H-benzimidazol-2-amine

C19H15N3 (285.126591)


   

3-(4-Bromophenoxy)-N,N-diethyl-1-propanamine

3-(4-Bromophenoxy)-N,N-diethyl-1-propanamine

C13H20BrNO (285.07281700000004)


   

N-Acetyl-N-[2-(7-methoxy-1-naphthyl)ethyl]acetamide

N-Acetyl-N-[2-(7-methoxy-1-naphthyl)ethyl]acetamide

C17H19NO3 (285.13648639999997)


   

4-(2-PIPERIDINOETHOXY)BENZOIC ACID HYDROCHLORIDE

4-(2-PIPERIDINOETHOXY)BENZOIC ACID HYDROCHLORIDE

C14H20ClNO3 (285.113164)


   

Ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate

Ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate

C13H10F3NO3 (285.0612746)


   

Letrozole related compound B

Letrozole related compound B

C17H11N5 (285.1014406)


   

Asenapine

(3aS,12bS)-2-Methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole

C17H16ClNO (285.0920356)


N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants An organic heterotetracyclic compound that is 2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole bearing methyl and chloro substituents at positions 2 and 5 respectively. C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Asenapine (Org 5222), an atypical antipsychotic, is an antagonist of serotonin receptors (pKi: 8.4-10.5), adrenoceptors (pKi: 8.9-9.5), dopamine receptors (pKi: 8.9-9.4) and histamine receptors (pKi: 8.2-9.0). Asenapine can be used in the research of schizophrenia and bipolar disorder[1][2].

   
   

2-((4-HYDROXYPHENETHYL)AMINO)-1-(4-HYDROXYPHENYL)PROPAN-1-ONE

2-((4-HYDROXYPHENETHYL)AMINO)-1-(4-HYDROXYPHENYL)PROPAN-1-ONE

C17H19NO3 (285.13648639999997)


   
   

(3aR,5R,5aS,8aS,8bR)-5-(azidomethyl)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydro-3aH-di[1,3]dioxolo[4,5-a:5,4-d]pyran

(3aR,5R,5aS,8aS,8bR)-5-(azidomethyl)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydro-3aH-di[1,3]dioxolo[4,5-a:5,4-d]pyran

C12H19N3O5 (285.1324644)


   

BOC-D,L-5,5,5-TRIFLUOROLEUCINE

BOC-D,L-5,5,5-TRIFLUOROLEUCINE

C11H18F3NO4 (285.1187864)


   

(R)-3-((tert-butoxycarbonyl)amino)-4-(thiophen-3-yl)butanoic acid

(R)-3-((tert-butoxycarbonyl)amino)-4-(thiophen-3-yl)butanoic acid

C13H19NO4S (285.1034734)


   

(2-Methyl-1H-indol-3-yl)(1-naphthyl)methanone

(2-Methyl-1H-indol-3-yl)(1-naphthyl)methanone

C20H15NO (285.115358)


   

1-propenyl-2,3-diMethyliMidazoliuM hexafluorophosphate

1-propenyl-2,3-diMethyliMidazoliuM hexafluorophosphate

C8H16F6N2P (285.0955238)


   

N-Benzanilide-4,4-dicarboxylic acid

N-Benzanilide-4,4-dicarboxylic acid

C15H11NO5 (285.0637196)


   

DIETHYL(3-AMINOPROPYL)PHOSPHONATE OXALATE SALT

DIETHYL(3-AMINOPROPYL)PHOSPHONATE OXALATE SALT

C9H20NO7P (285.097734)


   

1-Butylpyridinium trifluoromethanesulfonate

1-Butylpyridinium trifluoromethanesulfonate

C10H14F3NO3S (285.06464500000004)


   

(4-(N-(3-Methylbutanoyl)sulfamoyl)phenyl)boronic acid

(4-(N-(3-Methylbutanoyl)sulfamoyl)phenyl)boronic acid

C11H16BNO5S (285.08421960000004)


   

3-Quinolinecarboxylicacid, 4-hydroxy-7-(trifluoromethyl)-, ethyl ester

3-Quinolinecarboxylicacid, 4-hydroxy-7-(trifluoromethyl)-, ethyl ester

C13H10F3NO3 (285.0612746)


   

2-[4-(5-Bromo-2-pyridinyl)-1-piperazinyl]ethanol

2-[4-(5-Bromo-2-pyridinyl)-1-piperazinyl]ethanol

C11H16BrN3O (285.0476666)


   

2-(1-PIPERAZINYL)-QUINOLINEHYDROCHLORIDE

2-(1-PIPERAZINYL)-QUINOLINEHYDROCHLORIDE

C13H17Cl2N3 (285.07994620000005)


   

Boc-(S)-3-Amino-4-(3-thienyl)-butyric acid

Boc-(S)-3-Amino-4-(3-thienyl)-butyric acid

C13H19NO4S (285.1034734)


   

(S)-2-((TERT-BUTOXYCARBONYL)AMINO)-2-(4-CHLOROPHENYL)ACETIC ACID

(S)-2-((TERT-BUTOXYCARBONYL)AMINO)-2-(4-CHLOROPHENYL)ACETIC ACID

C13H16ClNO4 (285.0767806)


   

(2R)-2-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

(2R)-2-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

C13H16ClNO4 (285.0767806)


   

METHYL 5-OXO-6-(PYRIDIN-2-YLAMINO)-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLATE

METHYL 5-OXO-6-(PYRIDIN-2-YLAMINO)-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLATE

C15H15N3O3 (285.111336)


   

2-Chloro-6-(trifluoromethyl)nicotinonitrile

2-Chloro-6-(trifluoromethyl)nicotinonitrile

C15H15N3O3 (285.111336)


   

7,8-dimethyl-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid

7,8-dimethyl-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid

C15H11NO5 (285.0637196)


   

2-CARBOXY-PHTHALANIC ACID

2-CARBOXY-PHTHALANIC ACID

C15H11NO5 (285.0637196)


   

(3-((4-Methoxybenzyl)carbamoyl)phenyl)boronic acid

(3-((4-Methoxybenzyl)carbamoyl)phenyl)boronic acid

C15H16BNO4 (285.1172326)


   

1,3-Dimethoxy-5-[2-(4-nitro-phenyl)-vinyl]-benzene

1,3-Dimethoxy-5-[2-(4-nitro-phenyl)-vinyl]-benzene

C16H15NO4 (285.100103)


   

(+)-PD 128,907 HCl

(+)-PD 128,907 HCl

C14H20ClNO3 (285.113164)


(+)-PD 128907 hydrochloride is a selective dopamine D2/D3 receptor agonist, with Kis of 1.7, 0.84 nM for human and rat D3 receptors, 179, 770 n M for human and rat D3 receptors, respectively.

   

n,o-bis(diethylhydrogensilyl)trifluoroacetamide

n,o-bis(diethylhydrogensilyl)trifluoroacetamide

C10H22F3NOSi2 (285.1191958)


   

2-nitrophenyl β-D-fucoside

Orthonitrophenyl-beta-D-fucopyranoside

C12H15NO7 (285.08484799999997)


   

1H-Pyrrolo[2,3-b]pyridin-6-amine, 2,3-diphenyl-

1H-Pyrrolo[2,3-b]pyridin-6-amine, 2,3-diphenyl-

C19H15N3 (285.126591)


   

1-(ISOCYANO(TOSYL)METHYL)-3-METHYLBENZENE

1-(ISOCYANO(TOSYL)METHYL)-3-METHYLBENZENE

C16H15NO2S (285.08234500000003)


   

Ethyl 4-hydroxy-2-(trifluoromethyl)quinoline-3-carboxylate

Ethyl 4-hydroxy-2-(trifluoromethyl)quinoline-3-carboxylate

C13H10F3NO3 (285.0612746)


   

Ethyl 5-(2-(tert-butoxycarbonylamino)ethyl)-1,2,4-oxadiazole-3-carboxylate

Ethyl 5-(2-(tert-butoxycarbonylamino)ethyl)-1,2,4-oxadiazole-3-carboxylate

C12H19N3O5 (285.1324644)


   

Ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate

Ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate

C8H10F3N3O5 (285.05725259999997)


   
   

4-nitrophenyl-beta-d-fucopyranoside

4-nitrophenyl-beta-d-fucopyranoside

C12H15NO7 (285.08484799999997)


   

7-benzoyl-2,4-dimethyl-2,4,7,8,9-pentazabicyclo[4.3.0]nona-8,10-diene-3,5-dione

7-benzoyl-2,4-dimethyl-2,4,7,8,9-pentazabicyclo[4.3.0]nona-8,10-diene-3,5-dione

C13H11N5O3 (285.0861856)


   

ethyl 2-(4-acetamidophenyl)sulfonylacetate

ethyl 2-(4-acetamidophenyl)sulfonylacetate

C12H15NO5S (285.06709)


   

1H-Benz[g]indole-3-carboxaldehyde,2-(2-methylphenyl)-(9CI)

1H-Benz[g]indole-3-carboxaldehyde,2-(2-methylphenyl)-(9CI)

C20H15NO (285.115358)


   

(5,6-DIHYDRO-4H-[1,3]THIAZIN-2-YL)-(4-ETHOXY-PHENYL)-AMINE

(5,6-DIHYDRO-4H-[1,3]THIAZIN-2-YL)-(4-ETHOXY-PHENYL)-AMINE

C17H19NO3 (285.13648639999997)


   

3-{[(tert-Butoxycarbonyl)amino]methyl}-4-chlorobenzoic acid

3-{[(tert-Butoxycarbonyl)amino]methyl}-4-chlorobenzoic acid

C13H16ClNO4 (285.0767806)


   

N-(4-Methylsulphonyl-3-nitrophenyl)piperazine

N-(4-Methylsulphonyl-3-nitrophenyl)piperazine

C11H15N3O4S (285.078323)


   

(S)-ethyl 2-(1-(tert-butoxycarbonyl)ethyl)thiazole-5-carboxylate

(S)-ethyl 2-(1-(tert-butoxycarbonyl)ethyl)thiazole-5-carboxylate

C13H19NO4S (285.1034734)


   

n-benzoyl-l-tyrosine

n-benzoyl-l-tyrosine

C16H15NO4 (285.100103)


   

3-Benzyloxy-4-methoxy-beta-nitrostyrene

3-Benzyloxy-4-methoxy-beta-nitrostyrene

C16H15NO4 (285.100103)


   

4-(Methylsulfonyl)-2-morpholinobenzoic Acid

4-(Methylsulfonyl)-2-morpholinobenzoic Acid

C12H15NO5S (285.06709)


   

2-[2-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid

2-[2-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid

C13H16ClNO4 (285.0767806)


   

4-benzyloxy-3-methoxy-omega-nitrostyrene

4-benzyloxy-3-methoxy-omega-nitrostyrene

C16H15NO4 (285.100103)


   

n-(3-n-butoxy-2-hydroxypropyl)iminodiacetic acid monosodium salt

n-(3-n-butoxy-2-hydroxypropyl)iminodiacetic acid monosodium salt

C11H20NNaO6 (285.118826)


   

8-(4-fluorophenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

8-(4-fluorophenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

C13H11F4N3 (285.0889054)


   

N-Boc-(4-Chlorophenyl)glycine

N-Boc-(4-Chlorophenyl)glycine

C13H16ClNO4 (285.0767806)


   

N-Boc-(3-chlorophenyl)glycine

N-Boc-(3-chlorophenyl)glycine

C13H16ClNO4 (285.0767806)


   

4-METHYL-3-(MORPHOLINE-4-SULFONYL)BENZOICACID

4-METHYL-3-(MORPHOLINE-4-SULFONYL)BENZOICACID

C12H15NO5S (285.06709)


   

4-(4-(HYDROXYMETHYL)-2-METHOXY-5-NITROPHENOXY)BUTANOIC ACID

4-(4-(HYDROXYMETHYL)-2-METHOXY-5-NITROPHENOXY)BUTANOIC ACID

C12H15NO7 (285.08484799999997)


   

1-METHYL-4-(4-NITRO-BENZENESULFONYL)-PIPERAZINE

1-METHYL-4-(4-NITRO-BENZENESULFONYL)-PIPERAZINE

C11H15N3O4S (285.078323)


   

5-(1-methylcyclopropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(1-methylcyclopropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C12H10F3N3O2 (285.0725076)


   

Trans-3-benzyloxy-4-methoxy-beta-nitrostyrene

Trans-3-benzyloxy-4-methoxy-beta-nitrostyrene

C16H15NO4 (285.100103)


   
   

METHYL 2-(MORPHOLINOSULFONYL)BENZOATE

METHYL 2-(MORPHOLINOSULFONYL)BENZOATE

C12H15NO5S (285.06709)


   
   

3,8-DIAMINO-6-PHENYLPHENANTHRIDINE

3,8-DIAMINO-6-PHENYLPHENANTHRIDINE

C19H15N3 (285.126591)


   

METHYL 3-METHYL-5-[4-(TRIFLUOROMETHYL)PHENYL]ISOXAZOLE-4-CARBOXYLATE

METHYL 3-METHYL-5-[4-(TRIFLUOROMETHYL)PHENYL]ISOXAZOLE-4-CARBOXYLATE

C13H10F3NO3 (285.0612746)


   

1-methylsulfonyl-4-(4-nitrophenyl)piperazine

1-methylsulfonyl-4-(4-nitrophenyl)piperazine

C11H15N3O4S (285.078323)


   

Benzyl 4-hydrazinylpiperidine-1-carboxylate hydrochloride

Benzyl 4-hydrazinylpiperidine-1-carboxylate hydrochloride

C13H20ClN3O2 (285.124397)


   

3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]propan-1-amine

3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]propan-1-amine

C14H21ClFN3 (285.14079480000004)


   

L-GAMMA-GLUTAMYL-P-NITROANILIDE MONOHYDRATE

L-GAMMA-GLUTAMYL-P-NITROANILIDE MONOHYDRATE

C11H15N3O6 (285.096081)


   

2-(4-Dimethylamino-2-hydroxy-benzoyl)-benzoic acid

2-(4-Dimethylamino-2-hydroxy-benzoyl)-benzoic acid

C16H15NO4 (285.100103)


   

5-BROMO-N-(2-MORPHOLINOETHYL)PYRIDIN-2-AMINE

5-BROMO-N-(2-MORPHOLINOETHYL)PYRIDIN-2-AMINE

C11H16BrN3O (285.0476666)


   

6-[[(4-Methylphenyl)sulphonyl]amino]hexanoic acid

6-[[(4-Methylphenyl)sulphonyl]amino]hexanoic acid

C13H19NO4S (285.1034734)


   

ETHYL 5-(4-(TRIFLUOROMETHYL)PHENYL)ISOXAZOLE-3-CARBOXYLATE

ETHYL 5-(4-(TRIFLUOROMETHYL)PHENYL)ISOXAZOLE-3-CARBOXYLATE

C13H10F3NO3 (285.0612746)


   

N-METHYLHEX-5-EN-1-AMINE 4-METHYLBENZENESULFONATE

N-METHYLHEX-5-EN-1-AMINE 4-METHYLBENZENESULFONATE

C14H23NO3S (285.1398568)


   
   

4-[2-(1-Pipiridine)ethoxybenzoic acid hydrochloride

4-[2-(1-Pipiridine)ethoxybenzoic acid hydrochloride

C14H20ClNO3 (285.113164)


   

Boc-(S)-3-Amino-4-(2-thienyl)-butyric acid

Boc-(S)-3-Amino-4-(2-thienyl)-butyric acid

C13H19NO4S (285.1034734)


   

Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate

Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate

C13H10F3NO3 (285.0612746)


   

4-[(TETRAHYDRO-FURAN-2-YLMETHYL)-SULFAMOYL]-BENZOIC ACID

4-[(TETRAHYDRO-FURAN-2-YLMETHYL)-SULFAMOYL]-BENZOIC ACID

C12H15NO5S (285.06709)


   

N-(4-Cyclopropyl-1-naphthalenyl)-2-formylhydrazinecarbothioamide

N-(4-Cyclopropyl-1-naphthalenyl)-2-formylhydrazinecarbothioamide

C15H15N3OS (285.093578)


   

(2S)-2-Amino-4-methyl-1-[(2S)-2-methyl-2-oxiranyl]-1-pentanone trifluoroacetate (1:1)

(2S)-2-Amino-4-methyl-1-[(2S)-2-methyl-2-oxiranyl]-1-pentanone trifluoroacetate (1:1)

C11H18F3NO4 (285.1187864)


   

[3-(methylthio)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amine hydrochloride

[3-(methylthio)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amine hydrochloride

C12H16ClN3OS (285.0702556)


   

3-Azido-3-deoxy-1,2:5,6-bis-O-(1-methylethylidene)-alpha-D-galactofuranose

3-Azido-3-deoxy-1,2:5,6-bis-O-(1-methylethylidene)-alpha-D-galactofuranose

C12H19N3O5 (285.1324644)


   

N-octyl-4-metylpyridinium bromide

N-octyl-4-metylpyridinium bromide

C14H24BrN (285.1092004)


   

Methyl N-(2-pyrazinylcarbonyl)phenylalaninate

Methyl N-(2-pyrazinylcarbonyl)phenylalaninate

C15H15N3O3 (285.111336)


   

2-Azido-1,3-dimethylimidazolinium hexafluorophosphate

2-Azido-1,3-dimethylimidazolinium hexafluorophosphate

C5H10F6N5P (285.05779820000004)


   

Benzyl (1-(4-fluorophenyl)cyclopropyl)carbamate

Benzyl (1-(4-fluorophenyl)cyclopropyl)carbamate

C17H16FNO2 (285.1165008)


   

5-(3-TRIFLUOROMETHYLPHENYL)-ISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

5-(3-TRIFLUOROMETHYLPHENYL)-ISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

C13H10F3NO3 (285.0612746)


   

5-tert-butyl-1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methylpyrrole-3-carboxylic acid

5-tert-butyl-1-[2-(2-hydroxyethylsulfanyl)ethyl]-2-methylpyrrole-3-carboxylic acid

C14H23NO3S (285.1398568)


   

Glycyl-hydroxyprolyl-proline

Glycyl-hydroxyprolyl-proline

C12H19N3O5 (285.1324644)


   

2-{[(4-Methoxy-3-Methyl-2-Pyridinyl)Methyl]Sulfanyl}-1H-Benzimidazole

2-{[(4-Methoxy-3-Methyl-2-Pyridinyl)Methyl]Sulfanyl}-1H-Benzimidazole

C15H15N3OS (285.093578)


   

(4-Methoxy-3-(pyrrolidin-1-ylsulfonyl)phenyl)boronic acid

(4-Methoxy-3-(pyrrolidin-1-ylsulfonyl)phenyl)boronic acid

C11H16BNO5S (285.08421960000004)


   

(1-Tosylpyrrolidine-2,5-diyl)dimethanol

(1-Tosylpyrrolidine-2,5-diyl)dimethanol

C13H19NO4S (285.1034734)


   

2-Methyl-1,3-di-4-pyridylisoindole

2-Methyl-1,3-di-4-pyridylisoindole

C19H15N3 (285.126591)


   

1-(5-Bromo-2-fluorobenzyl)-4-methylpiperidine

1-(5-Bromo-2-fluorobenzyl)-4-methylpiperidine

C13H17BrFN (285.0528314)


   

2-(4-((2-Aminophenyl)sulfonyl)piperazin-1-yl)ethanol

2-(4-((2-Aminophenyl)sulfonyl)piperazin-1-yl)ethanol

C12H19N3O3S (285.1147064)


   

(2-Methyl-4-(morpholinosulfonyl)phenyl)boronic acid

(2-Methyl-4-(morpholinosulfonyl)phenyl)boronic acid

C11H16BNO5S (285.08421960000004)


   

N-Boc-2-(4-chlorophenyl)-DL-glycine

N-Boc-2-(4-chlorophenyl)-DL-glycine

C13H16ClNO4 (285.0767806)


   

N-(2,3,5,6-Tetramethylphenylsulfonyl)-^b-alanine

N-(2,3,5,6-Tetramethylphenylsulfonyl)-^b-alanine

C13H19NO4S (285.1034734)


   

2,5-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl)-, hydrochloride (9CI)

2,5-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl)-, hydrochloride (9CI)

C13H16ClNO4 (285.0767806)


   

1-(2-nitrophenyl)sulfonylpiperidin-4-amine

1-(2-nitrophenyl)sulfonylpiperidin-4-amine

C11H15N3O4S (285.078323)


   

1-[2-(4-CHLOROPHENYL)-7-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL]ETHAN-1-ONE

1-[2-(4-CHLOROPHENYL)-7-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL]ETHAN-1-ONE

C15H12ClN3O (285.0668852)


   
   

N-octyl-3-metylpyridinium bromide

N-octyl-3-metylpyridinium bromide

C14H24BrN (285.1092004)


   

2′-Deoxy-2′-fluoroguanosine

2′-Deoxy-2′-fluoroguanosine

C10H12FN5O4 (285.08732840000005)


2′-Deoxy-2′-fluoroguanosine, a nucleoside analog, is a potent inhibitor of influenza virus strains, with an EC90 of <0.35 μM for influenza virus A and B strains. 2′-Deoxy-2′-fluoroguanosine significantly inhibits replication of influenza virus in the upper respiratory tract, resulting in amelioration of fever and nasal inflammation[1][2].

   

(2S)-2-Amino-4-methyl-1-[(2R)-2-methyloxiranyl]-1-pentanone trifluoroacetate

(2S)-2-Amino-4-methyl-1-[(2R)-2-methyloxiranyl]-1-pentanone trifluoroacetate

C11H18F3NO4 (285.1187864)


   
   

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzothiophene-5-carbonitrile

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzothiophene-5-carbonitrile

C15H16BNO2S (285.0994746)


   

2-AMINOPHENYL-β-D-GLUCURONIC ACID

2-AMINOPHENYL-β-D-GLUCURONIC ACID

C12H15NO7 (285.08484799999997)


   
   

1-Isocyano-2-phenylethyl 4-methylphenyl sulfone

1-Isocyano-2-phenylethyl 4-methylphenyl sulfone

C16H15NO2S (285.08234500000003)


   

10-Methoxyiminostilbene-5-carbonylchloride

10-Methoxyiminostilbene-5-carbonylchloride

C16H12ClNO2 (285.0556522)


   
   
   

N-(5-METHYLSULPHONYL-2-NITROPHENYL)PIPERAZINE

N-(5-METHYLSULPHONYL-2-NITROPHENYL)PIPERAZINE

C11H15N3O4S (285.078323)


   

3-(Boc-amino)-3-(4-chlorophenyl)-1-propanol

3-(Boc-amino)-3-(4-chlorophenyl)-1-propanol

C14H20ClNO3 (285.113164)


   

Dibenzyl imidodicarbonate

Dibenzyl imidodicarbonate

C16H15NO4 (285.100103)


   
   

2-(6-Amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

2-(6-Amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C10H12FN5O4 (285.08732840000005)


D000970 - Antineoplastic Agents

   

5-BENZOXAZOLEACETIC ACID, 2-(4-FLUOROPHENYL)-alpha-METHYL-

5-BENZOXAZOLEACETIC ACID, 2-(4-FLUOROPHENYL)-alpha-METHYL-

C16H12FNO3 (285.0801174)


   

5-(6-Amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

5-(6-Amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

C10H12ClN5O3 (285.06286320000004)


   

2-Benzamido-3-(4-hydroxyphenyl)propanoic acid

2-Benzamido-3-(4-hydroxyphenyl)propanoic acid

C16H15NO4 (285.100103)


   

2-(3-(Diallylamino)propionyl)benzothiophene

2-(3-(Diallylamino)propionyl)benzothiophene

C17H19NOS (285.1187284)


   

cis-3,4,5-Trimethoxy-3-aminostilbene

cis-3,4,5-Trimethoxy-3-aminostilbene

C17H19NO3 (285.13648639999997)


   

N-(2-furanylmethyl)-3-methyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amine

N-(2-furanylmethyl)-3-methyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amine

C15H15N3OS (285.093578)


   
   

9-Carbazolyl-(4-methylphenyl)methanone

9-Carbazolyl-(4-methylphenyl)methanone

C20H15NO (285.115358)


   

2-[(1-Oxo-2-phenoxyethyl)amino]benzoic acid methyl ester

2-[(1-Oxo-2-phenoxyethyl)amino]benzoic acid methyl ester

C16H15NO4 (285.100103)


   

5-methyl-N-[4-(2-pyridinyl)-2-thiazolyl]-2-furancarboxamide

5-methyl-N-[4-(2-pyridinyl)-2-thiazolyl]-2-furancarboxamide

C14H11N3O2S (285.0571946)


   
   

3-[2-(3-Methylphenoxy)ethyl]-1,3-benzothiazol-2-one

3-[2-(3-Methylphenoxy)ethyl]-1,3-benzothiazol-2-one

C16H15NO2S (285.08234500000003)


   

3-[2-(4-Methylphenoxy)ethyl]-1,3-benzothiazol-2-one

3-[2-(4-Methylphenoxy)ethyl]-1,3-benzothiazol-2-one

C16H15NO2S (285.08234500000003)


   

4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide

4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide

C15H15N3O3 (285.111336)


   

Acetamide, N-(2,3-dihydroxy-5-(4-methylbenzoyl)phenyl)-

Acetamide, N-(2,3-dihydroxy-5-(4-methylbenzoyl)phenyl)-

C16H15NO4 (285.100103)


   

2,5-Bis(trimethylsilylethynyl)aniline

2,5-Bis(trimethylsilylethynyl)aniline

C16H23NSi2 (285.1368958)


   

2-(3-Benzoylphenoxy)ethyl(hydroxy)formamide

2-(3-Benzoylphenoxy)ethyl(hydroxy)formamide

C16H15NO4 (285.100103)


   

4-[(Cyclopropylethynyl)oxy]-6-fluoro-3-isopropylquinolin-2(1H)-one

4-[(Cyclopropylethynyl)oxy]-6-fluoro-3-isopropylquinolin-2(1H)-one

C17H16FNO2 (285.1165008)


   

2-[4-(Dimethylamino)phenyl]-6-Hydroxy-3-Methyl-1,3-Benzothiazol-3-Ium

2-[4-(Dimethylamino)phenyl]-6-Hydroxy-3-Methyl-1,3-Benzothiazol-3-Ium

C16H17N2OS+ (285.1061532)


   

Prothipendyl

Prothipendyl

C16H19N3S (285.1299614)


C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics

   

Unkie

MORPHINE, (5A,6A)-7,8-DIDEHYDRO-4,5-EPOXY-17-METHYLMORPHINIAN-3,6-DIOL, MORPHIUM, MORPHIA, DOLCONTIN, DUROMORPH, MORPHINA, NEPENTHE

C17H19NO3 (285.13648639999997)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist > C1657 - Opiate N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics

   

Femara

4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile

C17H11N5 (285.1014406)


L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BG - Aromatase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents Letrozole (CGS 20267) is a potent, selective, reversible and orally active non-steroidal inhibitor of aromatase, with an IC50 of 11.5 nM. Letrozole selective inhibits estrogen biosynthesis, and can be used for the research of breast cancer[1][2][3].

   

3,4-Dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one

3,4-Dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one

C16H15NO4 (285.100103)


   

N-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

N-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

C11H15N3O6 (285.096081)


   
   

5-Phosphoribosylglycineamide

5-Phosphoribosylglycineamide

C7H14N2O8P- (285.0487754)


   

Coformycin(1+)

Coformycin(1+)

C11H17N4O5+ (285.1198892)


The conjugate acid of coformycin arising from protonation of the imine nitrogen.

   

gentisate 5-O-beta-D-xylopyranoside

gentisate 5-O-beta-D-xylopyranoside

C12H13O8- (285.0610398)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

   

(Z)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-1-olate

(Z)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-1-olate

C16H13O5- (285.0762948)


   
   

4-dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naptho-[2,3-c]-pyran-3-(S)-acetic acid

4-dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naptho-[2,3-c]-pyran-3-(S)-acetic acid

C16H13O5- (285.0762948)


   

(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinoline-6-ol

(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-7-methoxyisoquinoline-6-ol

C17H19NO3 (285.13648639999997)


   

(2S,4R,5R,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-3-oxooxane-2-carboxylic acid

(2S,4R,5R,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-3-oxooxane-2-carboxylic acid

C10H11N3O7 (285.0596976)


   

2-(6-amino-2-fluoro-7H-purin-8-yl)oxane-3,4,5-triol

2-(6-amino-2-fluoro-7H-purin-8-yl)oxane-3,4,5-triol

C10H12FN5O4 (285.08732840000005)


   

dimethylidenebutanedioylcarnitine

dimethylidenebutanedioylcarnitine

C13H19NO6 (285.1212314)


   

(2E,4E)-Hexa-2,4-dienedioylcarnitine

(2E,4E)-Hexa-2,4-dienedioylcarnitine

C13H19NO6 (285.1212314)


   

N(1)-(5-phospho-D-ribosyl)glycinamide(1-)

N(1)-(5-phospho-D-ribosyl)glycinamide(1-)

C7H14N2O8P- (285.0487754)


Conjugate base of N(1)-(5-phospho-D-ribosyl)glycinamide. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

4-butyl-3-(4-chloro-1,5-dimethyl-3-pyrazolyl)-1H-1,2,4-triazole-5-thione

4-butyl-3-(4-chloro-1,5-dimethyl-3-pyrazolyl)-1H-1,2,4-triazole-5-thione

C11H16ClN5S (285.0814886)


   

2-phenyl-N-[2-(phenylmethylthio)ethyl]acetamide

2-phenyl-N-[2-(phenylmethylthio)ethyl]acetamide

C17H19NOS (285.1187284)


   

1-(6-hydroxy-3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl)ethanone

1-(6-hydroxy-3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl)ethanone

C17H19NO3 (285.13648639999997)


   

N-(1-propyl-5-benzimidazolyl)-2-thiophenecarboxamide

N-(1-propyl-5-benzimidazolyl)-2-thiophenecarboxamide

C15H15N3OS (285.093578)


   

3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one

3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one

C13H11N5OS (285.0684276)


   

N-(3-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide

N-(3-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide

C13H16ClNO2S (285.0590226)


   

N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide

N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide

C17H19NOS (285.1187284)


   

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone

C17H16FNO2 (285.1165008)


   

7-Chloro-2-methyl-3-(pyridin-4-ylmethyl)quinazolin-4-one

7-Chloro-2-methyl-3-(pyridin-4-ylmethyl)quinazolin-4-one

C15H12ClN3O (285.0668852)


   
   

2-Methyl-3,7-diphenylpyrazolo[1,5-a]pyrimidine

2-Methyl-3,7-diphenylpyrazolo[1,5-a]pyrimidine

C19H15N3 (285.126591)


   

2-(2,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide

2-(2,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide

C17H19NO3 (285.13648639999997)


   

Gly-pro-hyp

Gly-pro-hyp

C12H19N3O5 (285.1324644)


A tripeptide composed of glycine, L-proline and 3-hydroxy-L-proline units joined in sequence by peptide linkages.

   

3,7-Bis(dimethylamino)phenothiazine

3,7-Bis(dimethylamino)phenothiazine

C16H19N3S (285.1299614)


   

2-O-methyllicodione(1-)

2-O-methyllicodione(1-)

C16H13O5- (285.0762948)


   

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide

C13H11N5OS (285.0684276)


   

2-(2-Fluorophenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile

2-(2-Fluorophenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile

C16H16FN3O (285.1277338)


   

1-Butyl-3-[[(4,5-dimethyl-3-thiophenyl)-oxomethyl]amino]thiourea

1-Butyl-3-[[(4,5-dimethyl-3-thiophenyl)-oxomethyl]amino]thiourea

C12H19N3OS2 (285.0969484)


   

3-[5-(4-Methoxyphenyl)-1-prop-2-enyl-2-pyrrolyl]propanoic acid

3-[5-(4-Methoxyphenyl)-1-prop-2-enyl-2-pyrrolyl]propanoic acid

C17H19NO3 (285.13648639999997)


   

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophenecarboxamide

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophenecarboxamide

C14H11N3O2S (285.0571946)


   

1-Tert-butyl-3-[[(2-chlorophenyl)-oxomethyl]amino]thiourea

1-Tert-butyl-3-[[(2-chlorophenyl)-oxomethyl]amino]thiourea

C12H16ClN3OS (285.0702556)


   

N-[3-(6-imidazo[2,1-b]thiazolyl)phenyl]butanamide

N-[3-(6-imidazo[2,1-b]thiazolyl)phenyl]butanamide

C15H15N3OS (285.093578)


   

2-(4-Chloro-2-methylphenoxy)acetic acid [2-(ethylamino)-2-oxoethyl] ester

2-(4-Chloro-2-methylphenoxy)acetic acid [2-(ethylamino)-2-oxoethyl] ester

C13H16ClNO4 (285.0767806)


   

(3-Chloro-phenyl)-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)-amine

(3-Chloro-phenyl)-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)-amine

C14H12ClN5 (285.0781182)


   

8-fluoro-4-(4-methylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole

8-fluoro-4-(4-methylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole

C15H16FN5 (285.1389668)


   

rubrofusarin B(1-)

rubrofusarin B(1-)

C16H13O5- (285.0762948)


A phenolate anion obtained by deprotonation of the 5-hydroxy group of rubrofusarin B. It is the major microspecies at pH 7.3.

   

6-chloro-4-hydroxy-3-(phenylmethyl)-1H-quinolin-2-one

6-chloro-4-hydroxy-3-(phenylmethyl)-1H-quinolin-2-one

C16H12ClNO2 (285.0556522)


   

(2R,5R)-2-(6-amino-2-fluoro-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,5R)-2-(6-amino-2-fluoro-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol

C10H12FN5O4 (285.08732840000005)


   

(3R)-5-(6-amino-2-chloro-9-purinyl)-2-(hydroxymethyl)-3-oxolanol

(3R)-5-(6-amino-2-chloro-9-purinyl)-2-(hydroxymethyl)-3-oxolanol

C10H12ClN5O3 (285.06286320000004)


   

N-(8-carboxy-3-oxooctanoyl)-L-homoserine lactone

N-(8-carboxy-3-oxooctanoyl)-L-homoserine lactone

C13H19NO6 (285.1212314)


   

6beta-[(S)-1-hydroxyethyl]-2-[(R)-tetrahydrofuran-2-yl]pen-2-em-3-carboxylic acid

6beta-[(S)-1-hydroxyethyl]-2-[(R)-tetrahydrofuran-2-yl]pen-2-em-3-carboxylic acid

C12H15NO5S (285.06709)


   

1-(4-Trifluoromethylphenyl)-2-methyl-3-pyrrolidino-1-propanone

1-(4-Trifluoromethylphenyl)-2-methyl-3-pyrrolidino-1-propanone

C15H18F3NO (285.1340414)


   

5-[2-(2,6-Difluorophenyl)ethyl]-8-quinolinol

5-[2-(2,6-Difluorophenyl)ethyl]-8-quinolinol

C17H13F2NO (285.0965152)


   

4-[[4-[Nitroso(oxo)methyl]phenyl]hydrazo]benzoic acid

4-[[4-[Nitroso(oxo)methyl]phenyl]hydrazo]benzoic acid

C14H11N3O4 (285.0749526)


   

(4R,7S,7aR,12bS)-3-methyl-2,4,6,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol

(4R,7S,7aR,12bS)-3-methyl-2,4,6,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol

C17H19NO3 (285.13648639999997)


   
   
   

2,3-dihydrobiochanin A(1-)

2,3-dihydrobiochanin A(1-)

C16H13O5- (285.0762948)


Conjugate base of 2,3-dihydrobiochanin A arising from selective deprotonation of the 7-hydroxy group.

   

(5R)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(5R)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C12H15NO5S (285.06709)


   

2-hydroxyphenyl beta-D-glucopyranosiduronate

2-hydroxyphenyl beta-D-glucopyranosiduronate

C12H13O8- (285.0610398)


   

(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-(oxolan-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-(oxolan-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C12H15NO5S (285.06709)


   

3-Methyl-4-thiophen-2-yl-2,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinolin-5-one

3-Methyl-4-thiophen-2-yl-2,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinolin-5-one

C15H15N3OS (285.093578)


   

2-methylpropanoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester

2-methylpropanoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester

C15H15N3O3 (285.111336)


   

(5R,6S)-6-[(1S)-1-hydroxyethyl]-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(5R,6S)-6-[(1S)-1-hydroxyethyl]-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C12H15NO5S (285.06709)


   

(1R,10S,11R,12R,13S,14R)-3-amino-11-(hydroxymethyl)-6,9-dioxa-2,4-diazapentacyclo[8.3.1.01,7.05,13.08,12]tetradec-3-ene-8,11,14-triol

(1R,10S,11R,12R,13S,14R)-3-amino-11-(hydroxymethyl)-6,9-dioxa-2,4-diazapentacyclo[8.3.1.01,7.05,13.08,12]tetradec-3-ene-8,11,14-triol

C11H15N3O6 (285.096081)


   

2-[[(2R)-2-formamido-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[(2R)-2-formamido-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C9H22N2O6P+ (285.1215422)


   

1,3-Dimethoxy-2-hydroxy-10-methyl-9(10h)-acridinone

1,3-Dimethoxy-2-hydroxy-10-methyl-9(10h)-acridinone

C16H15NO4 (285.100103)


   

(3-Ethoxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

(3-Ethoxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

C10H24NO6P (285.1341174)


   

2-Aminoethyl (2-hydroxy-3-pentoxypropyl) hydrogen phosphate

2-Aminoethyl (2-hydroxy-3-pentoxypropyl) hydrogen phosphate

C10H24NO6P (285.1341174)


   

[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] butanoate

[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] butanoate

C9H20NO7P (285.097734)


   

3,5-Dimethyl-4-nitrobenzyl benzoate

3,5-Dimethyl-4-nitrobenzyl benzoate

C16H15NO4 (285.100103)


   

1-Acetoxy-4-(4-(N-acetylamino)phenoxy)benzene

1-Acetoxy-4-(4-(N-acetylamino)phenoxy)benzene

C16H15NO4 (285.100103)


   

2-(2,3-Dimethoxyphenyl)-3-phenylpropionamide

2-(2,3-Dimethoxyphenyl)-3-phenylpropionamide

C17H19NO3 (285.13648639999997)


   

Morphine

D-(-)-Morphine

C17H19NO3 (285.13648639999997)


A morphinane alkaloid that is a highly potent opiate analgesic psychoactive drug. Morphine acts directly on the central nervous system (CNS) to relieve pain but has a high potential for addiction, with tolerance and both physical and psychological dependence developing rapidly. Morphine is the most abundant opiate found in Papaver somniferum (the opium poppy). D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist > C1657 - Opiate N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics

   
   
   

Vidarabine monohydrate

Vidarabine monohydrate

C10H13N5O4.H2O (285.10731400000003)


D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent D009676 - Noxae > D000963 - Antimetabolites Vidarabine monohydrate is an adenine arabinoside. Vidarabine monohydrate an antiviral agent which is active against herpes simplex viruses (HSV) and varicella zoster viruses[1].

   

TRX-0237

Leucomethylene blue

C16H19N3S (285.1299614)


A member of the class of phenothiazines that is 10H-phenothiazine in which the ring hydrogens at positions 3 and 7 have been replaced by dimethylamino groups. C26170 - Protective Agent > C1509 - Neuroprotective Agent

   

6alpha-[(R)-1-hydroxyethyl]-2-[(R)-tetrahydrofuran-2-yl]pen-2-em-3-carboxylic acid

6alpha-[(R)-1-hydroxyethyl]-2-[(R)-tetrahydrofuran-2-yl]pen-2-em-3-carboxylic acid

C12H15NO5S (285.06709)


   

(S,S)-asenapine

(S,S)-asenapine

C17H16ClNO (285.0920356)


A 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole in which both of the stereocentres have S configuration.

   
   
   

(R,R)-asenapine

(R,R)-asenapine

C17H16ClNO (285.0920356)


A 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole in which both of the stereocentres have R configuration.

   
   

(S)-Coclaurine

(S)-Coclaurine

C17H19NO3 (285.13648639999997)


The (S)-enantiomer of coclaurine.

   

4-nitrophenyl alpha-L-fucoside

4-nitrophenyl alpha-L-fucoside

C12H15NO7 (285.08484799999997)


An alpha-L-fucoside that is alpha-L-fucopyranose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group.

   

catechol beta-D-glucuronide(1-)

catechol beta-D-glucuronide(1-)

C12H13O8 (285.0610398)


A carbohydrate acid derivative anion resulting from the removal of a proton from the carboxy group of catechol beta-D-glucuronide.

   
   
   
   

2'-Deoxyguanosine monohydrate

2'-Deoxyguanosine monohydrate

C10H15N5O5 (285.10731400000003)


2'-Deoxyguanosine monohydrate is an endogenous metabolite. 2'-Deoxyguanosine monohydrate is an endogenous metabolite.

   

4'-C-Azidouridine

4'-C-Azidouridine

C9H11N5O6 (285.0709306)


4'-C-azidouridine (4'-Azidouridine) is a uridine analogue. Uridine has potential antiepileptic effects, and its analogs can be used to study anticonvulsant and anxiolytic activities, as well as to develop new antihypertensive agents[1]. 4'-C-Azidouridine is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.

   

Nucleoside-Analog-2

Nucleoside-Analog-2

C9H11N5O6 (285.0709306)


Nucleoside-Analog-2 is a 4'-Azidocytidine analogue against Hepatitis C virus (HCV) replication. Nucleoside-Analog-2 is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.

   

PI3K/Akt/mTOR-IN-2

PI3K/Akt/mTOR-IN-2

C17H13F2NO (285.0965152)


PI3K/Akt/mTOR-IN-2 is a PI3K/AKT/mTOR pathway inhibitor. PI3K/Akt/mTOR-IN-2 possess anti-cancer effects and selectivity against MDA-MB-231 cells with IC50 value of 2.29 μM. PI3K/Akt/mTOR-IN-2 can induce cancer cell cycle arrest and apoptosis[1].

   

SIRT7 inhibitor 97491

SIRT7 inhibitor 97491

C15H12ClN3O (285.0668852)


SIRT7 inhibitor 97491, a potent SIRT7 inhibitor with an IC50 of 325 nM, reduces deacetylase activity of SIRT7 in a dose-dependent manner. SIRT7 inhibitor 97491 prevents tumor progression by increasing p53 stability through acetylation at K373/382. SIRT7 inhibitor 97491 promotes apoptosis through caspase pathway.[1].

   

(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 2,4-dimethyl-1h-pyrrole-3-carboxylate

(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 2,4-dimethyl-1h-pyrrole-3-carboxylate

C13H19NO6 (285.1212314)


   

11-hydroxy-12-methyl-5-phenyl-6-oxa-12-azatricyclo[7.2.1.0²,⁷]dodec-2(7)-en-3-one

11-hydroxy-12-methyl-5-phenyl-6-oxa-12-azatricyclo[7.2.1.0²,⁷]dodec-2(7)-en-3-one

C17H19NO3 (285.13648639999997)


   

(1r,4'r)-11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one

(1r,4'r)-11'-hydroxy-10'-methoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,8'(12'),9'-tetraen-4-one

C17H19NO3 (285.13648639999997)


   

7-imino-2-methyl-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1³,¹².0⁵,¹¹.0⁵,¹⁴]pentadecane-2,4,12-triol

7-imino-2-methyl-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1³,¹².0⁵,¹¹.0⁵,¹⁴]pentadecane-2,4,12-triol

C11H15N3O6 (285.096081)


   

(1s)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-ol

(1s)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-8-ol

C17H19NO3 (285.13648639999997)


   

4-hydroxy-2,3-dimethoxy-10-methylacridin-9-one

4-hydroxy-2,3-dimethoxy-10-methylacridin-9-one

C16H15NO4 (285.100103)


   

(2r)-2,3-bis(formyloxy)propoxy(2-(methylamino)ethoxy)phosphinic acid

(2r)-2,3-bis(formyloxy)propoxy(2-(methylamino)ethoxy)phosphinic acid

C8H16NO8P (285.0613506)


   

2-hydroxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid

2-hydroxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid

C16H15NO4 (285.100103)


   

2-{[(5-hydroxy-2,5-dimethyl-4,6-dioxocyclohex-2-en-1-ylidene)amino]methyl}benzaldehyde

2-{[(5-hydroxy-2,5-dimethyl-4,6-dioxocyclohex-2-en-1-ylidene)amino]methyl}benzaldehyde

C16H15NO4 (285.100103)


   

(2r,4s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl 2-phenylprop-2-enoate

(2r,4s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-yl 2-phenylprop-2-enoate

C17H19NO3 (285.13648639999997)


   

1-[(3-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol

1-[(3-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol

C17H19NO3 (285.13648639999997)


   

(1s,5r,13r,14r,17r)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol

(1s,5r,13r,14r,17r)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraene-10,14-diol

C17H19NO3 (285.13648639999997)


   

methyl 2,7-dimethoxy-9h-carbazole-3-carboxylate

methyl 2,7-dimethoxy-9h-carbazole-3-carboxylate

C16H15NO4 (285.100103)


   

1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol

1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol

C17H19NO3 (285.13648639999997)


   

(4e)-5-(2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one

(4e)-5-(2h-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one

C17H19NO3 (285.13648639999997)


   

(13r)-16-methyl-13-(prop-1-en-2-yl)-3,5,14-trioxa-16-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,11(15)-tetraen-10-one

(13r)-16-methyl-13-(prop-1-en-2-yl)-3,5,14-trioxa-16-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,11(15)-tetraen-10-one

C16H15NO4 (285.100103)


   

(2r,3r)-2-hydroxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid

(2r,3r)-2-hydroxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid

C16H15NO4 (285.100103)


   

3-methoxy-4-phenyl-3h-quinoline-2,4,6-triol

3-methoxy-4-phenyl-3h-quinoline-2,4,6-triol

C16H15NO4 (285.100103)