Exact Mass: 295.1360922

Exact Mass Matches: 295.1360922

Found 472 metabolites which its exact mass value is equals to given mass value 295.1360922, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Prunasin

(R)-2-Phenyl-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)acetonitrile

C14H17NO6 (295.1055822)


(R)-prunasin is a prunasin. Prunasin is a natural product found in Polypodium californicum, Chaenorhinum minus, and other organisms with data available. Prunasin is found in almond. Prunasin is isolated from kernels of Prunus species, immature fruits of Passiflora species and leaves of perilla (Perilla frutescens var. acuta) Prunasin belongs to the family of O-glycosyl Compounds. These are glycosides in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Isolated from kernels of Prunus subspecies, immature fruits of Passiflora subspecies and leaves of perilla (Perilla frutescens variety acuta). Prunasin is found in many foods, some of which are almond, sour cherry, black elderberry, and herbs and spices. Prunasin is found in almond. Prunasin is isolated from kernels of Prunus species, immature fruits of Passiflora species and leaves of perilla (Perilla frutescens var. acuta D004791 - Enzyme Inhibitors

   

Xylopine

(12R)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0{2,6}.0{8,20}.0{14,19}]icosa-1(20),2(6),7,14(19),15,17-hexaene

C18H17NO3 (295.1208372)


Xylopine, also known as (-)-xylopine, is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Xylopine is practically insoluble (in water) and a very strong basic compound (based on its pKa). Xylopine can be found in cherimoya and custard apple, which makes xylopine a potential biomarker for the consumption of these food products. Xylopine is an antimicrobial benzylisoquinoline alkaloid . Xylopine is an aporphine alkaloid. Xylopine is a natural product found in Dasymaschalon longiflorum, Annona muricata, and other organisms with data available.

   

Butralin

N-(butan-2-yl)-4-tert-butyl-2,6-dinitroaniline

C14H21N3O4 (295.1531986)


CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10587; ORIGINAL_PRECURSOR_SCAN_NO 10584 CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10578; ORIGINAL_PRECURSOR_SCAN_NO 10575 CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10538; ORIGINAL_PRECURSOR_SCAN_NO 10536 CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10568; ORIGINAL_PRECURSOR_SCAN_NO 10564 CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10608; ORIGINAL_PRECURSOR_SCAN_NO 10604 CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10617; ORIGINAL_PRECURSOR_SCAN_NO 10612

   

Azocene

beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol

C14H18ClN3O2 (295.1087478)


CONFIDENCE standard compound; INTERNAL_ID 741; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9290; ORIGINAL_PRECURSOR_SCAN_NO 9289 CONFIDENCE standard compound; INTERNAL_ID 741; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9319; ORIGINAL_PRECURSOR_SCAN_NO 9317 INTERNAL_ID 8442; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 8442 CONFIDENCE standard compound; INTERNAL_ID 2582 D016573 - Agrochemicals D010575 - Pesticides

   

Sumatriptan

1-[3-(2-Dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulphonamide

C14H21N3O2S (295.13544060000004)


Oftentimes, serotonin levels in the brain become extremely erratic before the onset of a migraine. In an attempt to stabilize this, sumatriptan is administered to help aid in leveling the serotonin levels in the brain. Sumatriptan is structurally similar to serotonin, and is a 5-HT (5-HT1D) agonist, which is one of the receptors that serotonin binds to. The specific receptor subtype it activates is present in the cranial and basilar arteries. Activation of these receptors causes vasoconstriction of those dilated arteries. Sumatriptan is also shown to decrease the activity of the trigeminal nerve. Sumatriptan is a triptan drug including a sulfonamide group structurally similar to serotonin, and is a 5-HT (5-HT1D) agonist, which is one of the receptors that serotonin binds to. Oftentimes, serotonin levels in the brain become extremely erratic before the onset of a migraine. In an attempt to stabilize this, sumatriptan is administered to help aid in leveling the serotonin levels in the brain. A serotonin agonist that acts selectively at 5HT1 receptors. It is used in the treatment of migraines. Sumatriptan (Imitrex, Imigran, Imigran Recovery) is a triptan drug including a sulfonamide group which was originally developed by Glaxo for the treatment of migraine headaches. Oftentimes, serotonin levels in the brain become extremely erratic before the onset of a migraine. In an attempt to stabilize this, sumatriptan is administered to help aid in leveling the serotonin levels in the brain. Sumatriptan is structurally similar to serotonin, and is a 5-HT (5-HT1D) agonist, which is one of the receptors that serotonin binds to. The specific receptor subtype it activates is present in the cranial and basilar arteries. Activation of these receptors causes vasoconstriction of those dilated arteries. Sumatriptan is also shown to decrease the activity of the trigeminal nerve.; Sumatriptan is a triptan drug including a sulfonamide group structurally similar to serotonin, and is a 5-HT (5-HT1D) agonist, which is one of the receptors that serotonin binds to. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Sumatriptan (GR 43175) is an orally active 5-HT1 receptor agonist with IC50s of 7.3 nm, 9.3nm and 17.8 nm for 5-HT1D, 5-HT1B and 5-HT1F receptors, respectively. Sumatriptan can be used for migraine headache research[1][2][3][4].

   

Esmolol

methyl 3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoate

C16H25NO4 (295.178349)


Esmolol (trade name Brevibloc) is a cardioselective beta1 receptor blocker with rapid onset, a very short duration of action, and no significant intrinsic sympathomimetic or membrane stabilising activity at therapeutic dosages. Esmolol decreases the force and rate of heart contractions by blocking beta-adrenergic receptors of the sympathetic nervous system, which are found in the heart and other organs of the body. Esmolol prevents the action of two naturally occurring substances: epinephrine and norepinephrine. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists

   

NSC627046

N6,N6-Dimethyladenosine

C12H17N5O4 (295.1280482)


N6,N6-Dimethyladenosine is a modified ribonucleoside previously found in rRNA, and also exhibits in mycobacterium bovis Bacille Calmette-Guérin tRNA[1].

   

Indican

(2S,3R,4S,5S,6R)-2-((1H-Indol-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

C14H17NO6 (295.1055822)


Indican is a colourless, water-soluble organic compound consisting of an indole ring conjugated to glucose. It is an indole glycoside. Its hydrolysis yields β-D-glucose and indoxyl. Indoles are compounds which consist of a pyrrole ring fused to benzene to form 2,3-benzopyrrole. The oxidation of indican by a mild oxidizing agent, e.g. atmospheric oxygen or CYP450 enzymes, yields indigo dye which is blue in colour. Indican is a substance occurring naturally in the urine of humans and mammals and also in blood plasma as a normal metabolite of tryptophan. Tryptophan is first converted to indole by gut bacteria. Following absorption from the gut, indole is converted to 3-hydroxyindole (indoxyl or indican) in the liver, where it is again then conjugated with sulfuric acid or glucoronic acid through normal xenobiotic metabolism pathways. It is then transported to the kidneys for excretion. In individuals affected by the blue diaper syndrome (a rare, autosomal recessive metabolic disorder characterized in infants by bluish urine-stained diapers), the patients exhibit a defect in tryptophan metabolism, leading to an increase in indican synthesis. Indican is then excreted into the urine and from there into the diaper where, upon exposure to air, it is converted to indigo blue dye due to oxidation by atmospheric oxygen. An increased urinary excretion of indican is seen in Hartnup disease from the bacterial degradation of unabsorbed tryptophan (PMID: 19967017). Hartnup disease is an autosomal recessive metabolic disorder affecting the absorption of nonpolar amino acids (particularly tryptophan), which leads to excessive bacterial fermentation of tryptophan (to indole) in the gut. Indican has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Its excretion is decreased by the presence of Lactobacillus bacteria in the gut (PMID: 6785555 ). Indican is an indolyl carbohydrate, a beta-D-glucoside and an exopolysaccharide. Indican is a natural product found in Indigofera suffruticosa, Isatis tinctoria, and other organisms with data available. Indican is a toxic metabolite derived from dietary proteins and tryptophan. In the intestine, proteins and tryptophan are converted to indole by tryptophanase-expressing organisms. In the liver, indole is hydroxylated to form indoxyl and indoxyl is sufated to produce indican. Overproduction of indican is associated with glomerular sclerosis, interstitial fibrosis and renal failure. Indican is a uremic toxin. Uremic toxins can be subdivided into three major groups based upon their chemical and physical characteristics: 1) small, water-soluble, non-protein-bound compounds, such as urea; 2) small, lipid-soluble and/or protein-bound compounds, such as the phenols and 3) larger so-called middle-molecules, such as beta2-microglobulin. Chronic exposure of uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease. It is a colourless organic compound, soluble in water, naturally occurring in Indigofera plants. It is a precursor of indigo dye. Indican interferes with many commercial procedures for measuring total bilirubin[6] which can be a problem for renal failure patients where blood indican levels are raised. It can cause gastrointestinal symptoms in patients where protein absorption is reduced - like Hartnups disease, allowing for greater bacterial decomposition of the Tryptophan to indole and its conversion to indican.

   

Mecambrine

(-)-Mecambrine

C18H17NO3 (295.1208372)


   
   
   
   

Japonine

3,6-dimethoxy-1-methyl-2-phenyl-quinolin-4-one

C18H17NO3 (295.1208372)


   

GYKI 52895

4-(8-METHYL-8,9-DIHYDRO-7H-[1,3]DIOXOLO[4,5:4,5]BENZO[1,2-D][1,2]DIAZEPIN-5-YL)ANILINE

C17H17N3O2 (295.1320702)


   

Citalopram aldehyde

1-(4-fluorophenyl)-1-(3-oxopropyl)-1,3-dihydro-2-benzofuran-5-carbonitrile

C18H14FNO2 (295.1008516)


Citalopram aldehyde is a metabolite of citalopram. Citalopram is an antidepressant drug of the selective serotonin reuptake inhibitor (SSRI) class. It has U.S. Food and Drug Administration (FDA) approval to treat major depression, and is prescribed off-label for a number of anxiety conditions. (Wikipedia)

   

Nitrothal-isopropyl

Nitrothal-isopropyl

C14H17NO6 (295.1055822)


   

Sambunigrin

(2S)-2-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

C14H17NO6 (295.1055822)


Isolated from leaves of elderberry (Sambucus nigra) and from other plants. Sambunigrin is found in passion fruit, fruits, and black elderberry. Sambunigrin is found in black elderberry. Sambunigrin is isolated from leaves of elderberry (Sambucus nigra) and from other plant

   

mebendazole

mebendazole

C16H13N3O3 (295.0956868)


P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents INTERNAL_ID 8534; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 8534 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3668 CONFIDENCE standard compound; INTERNAL_ID 1164 CONFIDENCE standard compound; INTERNAL_ID 1064

   

Norfluoxetine

3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

C16H16F3NO (295.1183922)


Norfluoxetine is a metabolite of fluoxetine. (S)-Norfluoxetine, also known as seproxetine, is a selective serotonin reuptake inhibitor (SSRI). It is the most important active metabolite of the widely used antidepressant fluoxetine but little is known about its pharmacological actions. Seproxetine was being investigated by Eli Lilly and Company as an antidepressant, however, a cardiac side effect was noted and development was discontinued (Wikipedia).

   

Mebendazole

(5-Benzoyl-1H-benzimidazol-2-yl)-carbamic acid methyl ester

C16H13N3O3 (295.0956868)


Mebendazole is only found in individuals that have used or taken this drug. It is a benzimidazole that acts by interfering with carbohydrate metabolism and inhibiting polymerization of microtubules. [PubChem]Mebendazole causes degenerative alterations in the tegument and intestinal cells of the worm by binding to the colchicine-sensitive site of tubulin, thus inhibiting its polymerization or assembly into microtubules. The loss of the cytoplasmic microtubules leads to impaired uptake of glucose by the larval and adult stages of the susceptible parasites, and depletes their glycogen stores. Degenerative changes in the endoplasmic reticulum, the mitochondria of the germinal layer, and the subsequent release of lysosomes result in decreased production of adenosine triphosphate (ATP), which is the energy required for the survival of the helminth. Due to diminished energy production, the parasite is immobilized and eventually dies. P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents

   

Tertatolol

1-(tert-butylamino)-3-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)propan-2-ol

C16H25NO2S (295.160591)


Tertatolol (Artex, Artexal, Prenalex) is a medication in the class of beta blockers, used in the treatment of high blood pressure. It was discovered by the French pharmaceutical company Servier and is marketed in Europe. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents

   

7-Hydroxyheptaphylline

2,7-Dihydroxy-1-(3-methyl-2-butenyl)-9H-carbazole-3-carboxaldehyde, 9ci

C18H17NO3 (295.1208372)


7-Hydroxyheptaphylline is found in fruits. 7-Hydroxyheptaphylline is an alkaloid from root bark of Clausena lansium (wampee). Alkaloid from root bark of Clausena lansium (wampee). 7-Hydroxyheptaphylline is found in fruits.

   

(E)-Herclavine

(2E)-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide

C19H21NO2 (295.1572206)


(E)-Herclavine is found in herbs and spices. (E)-Herclavine is an alkaloid from the bark of Zanthoxylum clava-herculis (Hercules club

   

Tyrosyl-Asparagine

2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-(C-hydroxycarbonimidoyl)propanoate

C13H17N3O5 (295.1168152)


Tyrosyl-Asparagine is a dipeptide composed of tyrosine and asparagine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Asparaginyl-Tyrosine

2-{[2-amino-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}-3-(4-hydroxyphenyl)propanoate

C13H17N3O5 (295.1168152)


Asparaginyl-Tyrosine is a dipeptide composed of asparagine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Prulaurasin

2-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

C14H17NO6 (295.1055822)


Prulaurasin is found in fruits. Prulaurasin is isolated from cherry laurel leaves (Prunus laurocerasus) and other plant Isolated from cherry laurel leaves (Prunus laurocerasus) and other plants. Prulaurasin is found in fruits. D004791 - Enzyme Inhibitors

   

(S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside

2-phenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

C14H17NO6 (295.1055822)


(S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside is found in fruits. (S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside is a constituent of the leaves and stems of passion fruit (Passiflora edulis). Constituent of the leaves and stems of passion fruit (Passiflora edulis). (S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside is found in fruits.

   

Doxepin N-oxide

N,N-dimethyl-3-[(2E)-9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propanamine oxide

C19H21NO2 (295.1572206)


Doxepin N-oxide (CAS: 22684-91-9) is a metabolite of doxepin. Doxepin is a psychotropic agent with tricyclic antidepressant and anxiolytic properties, known under many brand-names such as Aponal, Adapine, Doxal, Deptran, Sinquan, and Sinequan. As doxepin hydrochloride, it is the active ingredient in cream-based preparations (Zonalon and Xepin) for the treatment of dermatological itch (Wikipedia).

   

(E)-2-hydroxydoxepin

(2Z)-2-[3-(dimethylamino)propylidene]-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-5-ol

C19H21NO2 (295.1572206)


(E)-2-hydroxydoxepin is a metabolite of doxepin. Doxepin is a psychotropic agent with tricyclic antidepressant and anxiolytic properties, known under many brand-names such as Aponal, the original preparation by Boehringer-Mannheim, now part of the Roche group; Adapine, Doxal, Deptran, Sinquan and Sinequan. As doxepin hydrochloride, it is the active ingredient in cream-based preparations (Zonalon and Xepin) for the treatment of dermatological itch. (Wikipedia)

   

Nor-ketotifen

2-(piperidin-4-ylidene)-6-thiatricyclo[8.4.0.0³,⁷]tetradeca-1(14),3(7),4,10,12-pentaen-8-one

C18H17NOS (295.1030792)


Nor-ketotifen is a metabolite of ketotifen. Ketotifen is a second-generation H1-antihistamine and mast cell stabilizer. It is most commonly sold in as a salt of fumaric acid, ketotifen fumarate, and is available in two forms. In its ophthalmic form, it is used to treat allergic conjunctivitis, or the itchy red eyes caused by allergies. In its oral form, it is used to prevent asthma attacks. Side effects include drowsiness, weight gain, dry mouth, irritability, and increased nosebleeds. (Wikipedia)

   

(2E,4E,7E)-Nona-2,4,7-trienoylcarnitine

3-(Nona-2,4,7-trienoyloxy)-4-(trimethylazaniumyl)butanoic acid

C16H25NO4 (295.178349)


(2E,4E,7E)-nona-2,4,7-trienoylcarnitine is an acylcarnitine. More specifically, it is an (2E,4E,7E)-nona-2,4,7-trienoic 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,7E)-nona-2,4,7-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E,4E,7E)-nona-2,4,7-trienoylcarnitine 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].

   

Nona-2,4,6-trienoylcarnitine

3-(Nona-2,4,6-trienoyloxy)-4-(trimethylazaniumyl)butanoic acid

C16H25NO4 (295.178349)


Nona-2,4,6-trienoylcarnitine is an acylcarnitine. More specifically, it is an nona-2,4,6-trienoic 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. nona-2,4,6-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-2,4,6-trienoylcarnitine 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].

   

Nona-3,5,7-trienoylcarnitine

3-(Nona-3,5,7-trienoyloxy)-4-(trimethylazaniumyl)butanoic acid

C16H25NO4 (295.178349)


Nona-3,5,7-trienoylcarnitine is an acylcarnitine. More specifically, it is an nona-3,5,7-trienoic 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. nona-3,5,7-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-3,5,7-trienoylcarnitine 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].

   

1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaene

C19H21NO2 (295.1572206)


   

Cyclohexyl biphenyl-3-ylcarbamate

cyclohexyl N-{[1,1-biphenyl]-3-yl}carbamate

C19H21NO2 (295.1572206)


URB602 is a selective monoacylglycerol lipase (MGL) inhibitor, which inhibits rat brain MGL with IC50 of 28±4 μM through a noncompetitive mechanism.

   

Norquetiapine

10-(piperazin-1-yl)-2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaene

C17H17N3S (295.11431220000003)


   

2-Methacryloyloxyethyl phosphorylcholine

trimethyl[2-({2-[(2-methylprop-2-enoyl)oxy]ethyl phosphono}oxy)ethyl]azanium

C11H22NO6P (295.1184682)


   

2-Methyl-3-(3-nitro-o-tolyl)-4(3H)-quinazolinone

2-methyl-3-(2-methyl-3-nitrophenyl)-3,4-dihydroquinazolin-4-one

C16H13N3O3 (295.0956868)


   

H-Tyr-gly-gly-OH

2-[(2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxyethylidene)amino]acetate

C13H17N3O5 (295.1168152)


   

Dibenzepin

9-[2-(dimethylamino)ethyl]-2-methyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one

C18H21N3O (295.1684536)


N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents

   

Dothiepin

dimethyl(3-{9-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}propyl)amine

C19H21NS (295.13946260000006)


   

Glycyl-tyrosyl-glycine

2-[2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]acetic acid

C13H17N3O5 (295.1168152)


   

2-[[2-(4-Hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one

2-({[2-(4-hydroxyphenyl)ethyl]amino}methyl)-1,2,3,4-tetrahydronaphthalen-1-one

C19H21NO2 (295.1572206)


D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists

   

Indoxyl-beta-D-glucoside

2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol

C14H17NO6 (295.1055822)


   

Indobufen

2-[4-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]butanoic acid

C18H17NO3 (295.1208372)


B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors

   

levo-tetrahydropalmatine

9,10-Dimethoxy-5,6,13,13a-tetrahydro-8H-dibenzo[a,g]quinolizine

C19H21NO2 (295.1572206)


   

N-n-Propylnorapomorphine

10-propyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-3,4-diol

C19H21NO2 (295.1572206)


D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists

   

N(6),O(2)-Dimethyladenosine

2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-3-ol

C12H17N5O4 (295.1280482)


   

N2-Ethyl-2'-deoxyguanosine

2-(ethylamino)-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one

C12H17N5O4 (295.1280482)


   

Nepicastat

5-(aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-imidazole-2-thione

C14H15F2N3S (295.0954694)


   

Pitolisant

1-{3-[3-(4-chlorophenyl)propoxy]propyl}piperidine

C17H26ClNO (295.1702816)


C78272 - Agent Affecting Nervous System N - Nervous system Pitolisant is a potent and selective nonimidazole inverse agonist at the recombinant human histamine H3 receptor (Ki=0.16 nM).

   

Pizotifen

1-methyl-4-{6-thiatricyclo[8.4.0.0³,⁷]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene}piperidine

C19H21NS (295.13946260000006)


D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist D002491 - Central Nervous System Agents > D000700 - Analgesics Pizotifen (Pizotyline) is a potent 5-HT2 receptor antagonist, with a high affinity for 5-HT1C binding site.

   

N~2~,N~2~-Dimethyl-N~1~-(6-oxo-5,6-dihydrophenanthridin-2-YL)glycinamide

N-(oxo-5,6-Dihydrophenanthridin-2-yl)-N,N-dimethylacetamide hydrochloride

C17H17N3O2 (295.1320702)


   

Nuciferine

4H-DIBENZO(DE,G)QUINOLINE, 5,6,6A,7-TETRAHYDRO-1,2-DIMETHOXY-6-METHYL-, (6AR)-

C19H21NO2 (295.1572206)


CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2317 Nuciferine is a natural product found in Cissampelos pareira, Paliurus hemsleyanus, and other organisms with data available. Nuciferine is an antagonist at 5-HT2A (IC50=478 nM), 5-HT2C (IC50=131 nM), and 5-HT2B (IC50=1 μM), an inverse agonist at 5-HT7 (IC50=150 nM), a partial agonist at D2 (EC50=64 nM), D5 (EC50=2.6 μM) and 5-HT6 (EC50=700 nM), an agonist at 5-HT1A (EC50=3.2 μM) and D4 (EC50=2 μM) receptor. Nuciferine is an antagonist at 5-HT2A (IC50=478 nM), 5-HT2C (IC50=131 nM), and 5-HT2B (IC50=1 μM), an inverse agonist at 5-HT7 (IC50=150 nM), a partial agonist at D2 (EC50=64 nM), D5 (EC50=2.6 μM) and 5-HT6 (EC50=700 nM), an agonist at 5-HT1A (EC50=3.2 μM) and D4 (EC50=2 μM) receptor. Nuciferine is an antagonist at 5-HT2A (IC50=478 nM), 5-HT2C (IC50=131 nM), and 5-HT2B (IC50=1 μM), an inverse agonist at 5-HT7 (IC50=150 nM), a partial agonist at D2 (EC50=64 nM), D5 (EC50=2.6 μM) and 5-HT6 (EC50=700 nM), an agonist at 5-HT1A (EC50=3.2 μM) and D4 (EC50=2 μM) receptor.

   
   
   

Axinisothiocyanate C

Axinisothiocyanate C

C16H25NO2S (295.160591)


   
   
   

3,3-Dimethyl-10-hydroxy-1,2,3,11-tetrahydropyrano[3,2-a]carbazole-5-carbaldehyde

3,3-Dimethyl-10-hydroxy-1,2,3,11-tetrahydropyrano[3,2-a]carbazole-5-carbaldehyde

C18H17NO3 (295.1208372)


   
   

2-O-beta-D-glucopyranosyl 1,4-Dideoxy-1,4-imino-D-arabinitol

1,4-Dideoxy-1,4-imino-(2-O-beta-D-glucopyranosyl)-D-arabinitol

C11H21NO8 (295.1267106)


   
   

Axinisothiocyanate N

Axinisothiocyanate N

C16H25NO2S (295.160591)


   

Remeroline

N-Methylanolobine

C18H17NO3 (295.1208372)


   
   
   
   
   
   

Axinisothiocyanate F

Axinisothiocyanate F

C16H25NO2S (295.160591)


   

4-(6,7-Dimethoxyisoquinoline-1-ylmethyl)phenol

4-(6,7-Dimethoxyisoquinoline-1-ylmethyl)phenol

C18H17NO3 (295.1208372)


   

Carbazoquinocin A

(S)-2-Methyl-1-(3-methylpentyl)-3H-carbazole-3,4(9H)-dione

C19H21NO2 (295.1572206)


   
   
   
   

Lycoposerramine F

Lycoposerramine F

C16H25NO4 (295.178349)


   
   
   

Axinisothiocyanate G

Axinisothiocyanate G

C16H25NO2S (295.160591)


   

Pethoxamid

Pethoxamide

C16H22ClNO2 (295.1338982)


CONFIDENCE standard compound; INTERNAL_ID 2535 CONFIDENCE standard compound; INTERNAL_ID 8399 CONFIDENCE standard compound; INTERNAL_ID 4062 CONFIDENCE standard compound; EAWAG_UCHEM_ID 700

   

Dothiepin

(E)-Dosulepin

C19H21NS (295.13946260000006)


N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection Flow Injection; CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu)

   

Dibenzepin

Dibenzepin

C18H21N3O (295.1684536)


N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents

   

N-Propylnorapomorphine

N-Propylnorapomorphine

C19H21NO2 (295.1572206)


D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists

   

Isoxadifen-ethyl

4,5-dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylic acid, ethyl ester

C18H17NO3 (295.1208372)


CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9548; ORIGINAL_PRECURSOR_SCAN_NO 9545 CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9558; ORIGINAL_PRECURSOR_SCAN_NO 9557 CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9573; ORIGINAL_PRECURSOR_SCAN_NO 9571 CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9589; ORIGINAL_PRECURSOR_SCAN_NO 9588 CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9589; ORIGINAL_PRECURSOR_SCAN_NO 9587 CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9601; ORIGINAL_PRECURSOR_SCAN_NO 9599 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3168

   

nimetazepam

nimetazepam

C16H13N3O3 (295.0956868)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants

   

2-Phenyl-3-(3,4,5-trimethoxyphenyl)acrylonitrile

2-Phenyl-3-(3,4,5-trimethoxyphenyl)acrylonitrile

C18H17NO3 (295.1208372)


   

N-benzyl-N-(1-cyclopropylethenyl)-3-fluorobenzamide

N-benzyl-N-(1-cyclopropylethenyl)-3-fluorobenzamide

C19H18FNO (295.13723500000003)


   

URB602

[1,1-biphenyl]-3-yl-carbamic acid, cyclohexyl ester

C19H21NO2 (295.1572206)


URB602 is a selective monoacylglycerol lipase (MGL) inhibitor, which inhibits rat brain MGL with IC50 of 28±4 μM through a noncompetitive mechanism.

   

Pizotifen

Pizotyline

C19H21NS (295.13946260000006)


D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist D002491 - Central Nervous System Agents > D000700 - Analgesics Pizotifen (Pizotyline) is a potent 5-HT2 receptor antagonist, with a high affinity for 5-HT1C binding site.

   
   

Metalaxyl-M-TP CGA108906

Metalaxyl-M-TP CGA108906

C14H17NO6 (295.1055822)


CONFIDENCE standard compound; UCHEM_ID 4170

   
   

12-hydroxy-(13betaH)-19,20-dinor-crotalanane-11,15-dione|Crobarbatin|crobarbatine

12-hydroxy-(13betaH)-19,20-dinor-crotalanane-11,15-dione|Crobarbatin|crobarbatine

C15H21NO5 (295.1419656)


   
   

6-(1-acetoxy-2-dihydroxy-propyl)-2-amino-3H,8H-pteridine-4,7-dione

6-(1-acetoxy-2-dihydroxy-propyl)-2-amino-3H,8H-pteridine-4,7-dione

C11H13N5O5 (295.09166480000005)


   
   
   
   

(2E,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxo-2,7,9-dodecatrienamide|(6RS)-(2E,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxo-2,7,9-dodecatrienamide|ZP-amide A

(2E,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxo-2,7,9-dodecatrienamide|(6RS)-(2E,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxo-2,7,9-dodecatrienamide|ZP-amide A

C16H25NO4 (295.178349)


   

1-(5-Quinolinyl)-beta-carboline

1-(5-Quinolinyl)-beta-carboline

C20H13N3 (295.11094180000003)


   
   

6beta-Propanoyloxy-3alpha-tigloyloxytropane

6beta-Propanoyloxy-3alpha-tigloyloxytropane

C16H25NO4 (295.178349)


   

6-(2-acetoxy-1-dihydroxy-propyl)-2-amino-3H,8H-pteridine-4,7-dione

6-(2-acetoxy-1-dihydroxy-propyl)-2-amino-3H,8H-pteridine-4,7-dione

C11H13N5O5 (295.09166480000005)


   
   

5-acetamido-3,5-dideoxy-beta-D-glycero-D-galacto-nonulopyranose|5-Acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-nonulo-pyranose

5-acetamido-3,5-dideoxy-beta-D-glycero-D-galacto-nonulopyranose|5-Acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-nonulo-pyranose

C11H21NO8 (295.1267106)


   
   

1,4-dideoxy-1,4-imino-(5-O-beta-D-glucopyranosyl)-D-arabinitol

1,4-dideoxy-1,4-imino-(5-O-beta-D-glucopyranosyl)-D-arabinitol

C11H21NO8 (295.1267106)


   
   
   

(11RS)-(2E,7E,9E)-11-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-oxo-2,7,9-dodecatrienamide|ZP-amide B

(11RS)-(2E,7E,9E)-11-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-oxo-2,7,9-dodecatrienamide|ZP-amide B

C16H25NO4 (295.178349)


   

Noratherosperminine

Noratherosperminine

C19H21NO2 (295.1572206)


   

6N-Me-2-Methyladenosine

6N-Me-2-Methyladenosine

C12H17N5O4 (295.1280482)


   

N-methyllaurotetanine

N-methyllaurotetanine

C19H21NO2 (295.1572206)


   

oxystemokerrilactone

oxystemokerrilactone

C16H25NO4 (295.178349)


   

(6aR)-4,5,6a,7-tetrahydro-2-hydroxy-1-methoxy-6H-dibenzo[de,g]quinoline-6-carbaldehyde|kachirachiranine|N-formylasimilobine

(6aR)-4,5,6a,7-tetrahydro-2-hydroxy-1-methoxy-6H-dibenzo[de,g]quinoline-6-carbaldehyde|kachirachiranine|N-formylasimilobine

C18H17NO3 (295.1208372)


   

Penipanoid A

Penipanoid A

C16H13N3O3 (295.0956868)


A member of the class of benzoic acids that is benzoic acid substituted by a 1H-1,2,4-triazol-1-yl group at position 2 which in turn is substituted by a 4-hydroxybenzyl group at position 5. It has been isolated from Penicillium paneum.

   

(4-beta-D-Glucopyranosyloxy-phenyl)-acetonitril|(4-beta-D-glucopyranosyloxy-phenyl)-acetonitrile|(4-hydroxyphenyl)acetonitrile 4-O-beta-D-glucopyranoside|hydranitriloside B2|[4-(beta-D-glucopyranosyloxy)phenyl]acetonitrile

(4-beta-D-Glucopyranosyloxy-phenyl)-acetonitril|(4-beta-D-glucopyranosyloxy-phenyl)-acetonitrile|(4-hydroxyphenyl)acetonitrile 4-O-beta-D-glucopyranoside|hydranitriloside B2|[4-(beta-D-glucopyranosyloxy)phenyl]acetonitrile

C14H17NO6 (295.1055822)


   

4-(7-hydroxy-3-methoxy-6-methyl-9H-carbazol-4-yl)but-3-en-2-one

4-(7-hydroxy-3-methoxy-6-methyl-9H-carbazol-4-yl)but-3-en-2-one

C18H17NO3 (295.1208372)


   
   
   

4alpha,8beta,12beta-trihydroxylycopodine

4alpha,8beta,12beta-trihydroxylycopodine

C16H25NO4 (295.178349)


   

2,8-dihydroxy-7-(3-methylbut-2-en-1-yl)-9H-carbazole-3-carbaldehyde|excavatine A

2,8-dihydroxy-7-(3-methylbut-2-en-1-yl)-9H-carbazole-3-carbaldehyde|excavatine A

C18H17NO3 (295.1208372)


   

9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate

9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate

C20H13N3 (295.11094180000003)


   
   

GB4 Toxin|O,O-dipropyl (E)-2-(1-methyl-2-oxopropylidene)phosphorahydrazidothioate-(E)-oxime|O,O-dipropyl (E)-2-(1-methyl-2-oxopropylidene)phosphorohydrazidothioate (E)-oxime|O,O-Dipropyl(E)-2-(1-methyl-2-oxopropylidene)phosphorohydrazidothioate(E)-oxime

GB4 Toxin|O,O-dipropyl (E)-2-(1-methyl-2-oxopropylidene)phosphorahydrazidothioate-(E)-oxime|O,O-dipropyl (E)-2-(1-methyl-2-oxopropylidene)phosphorohydrazidothioate (E)-oxime|O,O-Dipropyl(E)-2-(1-methyl-2-oxopropylidene)phosphorohydrazidothioate(E)-oxime

C10H22N3O3PS (295.11194320000004)


   
   

2,10,11-trihydroxy-8-methoxy-1,6,7,8-tetrahydro-2h-benzo[e]azecine-3,5-dione

2,10,11-trihydroxy-8-methoxy-1,6,7,8-tetrahydro-2h-benzo[e]azecine-3,5-dione

C14H17NO6 (295.1055822)


   

Tri-acetyl pyridoxine

Tri-acetyl pyridoxine

C14H17NO6 (295.1055822)


   
   
   
   
   

(+)-norstephalagine|(-)-norstephalagine|noestephalagine|Norstephalagin|Norstephalagine

(+)-norstephalagine|(-)-norstephalagine|noestephalagine|Norstephalagin|Norstephalagine

C18H17NO3 (295.1208372)


   

N-coronafacoyl-L-serine

N-coronafacoyl-L-serine

C15H21NO5 (295.1419656)


   
   
   

1-(2-Dimethylamino-aethyl)-3-methoxy-phenanthren-4-ol|1-<2-Dimethylamino-aethyl>-3-methoxy-phenanthren-4-ol

1-(2-Dimethylamino-aethyl)-3-methoxy-phenanthren-4-ol|1-<2-Dimethylamino-aethyl>-3-methoxy-phenanthren-4-ol

C19H21NO2 (295.1572206)


   

11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine

11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine

C17H17N3S (295.11431220000003)


   
   
   

Glycyl-tyrosyl-glycine

Glycyl-tyrosyl-glycine

C13H17N3O5 (295.1168152)


   

Norfluoxetine

Norfluoxetine

C16H16F3NO (295.1183922)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 335 CONFIDENCE standard compound; INTERNAL_ID 2112

   

Propranolol HCl

Propranolol hydrochloride

C16H22ClNO2 (295.1338982)


Propranolol hydrochloride is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol hydrochloride is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol hydrochloride is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3].

   

1-(8-Quinolinyl)-beta-carboline

NCGC00160283-01!1-(8-Quinolinyl)-beta-carboline

C20H13N3 (295.11094180000003)


   

Seproxetine

NFL_296.1257_14.5

C16H16F3NO (295.1183922)


CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 1000 C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

   

C15H21NO5

NCGC00385487-01_C15H21NO5_

C15H21NO5 (295.1419656)


   

C14H21N3O4_1-(5,10-Dioxohexahydro-1H,5H-dipyrrolo[1,2-a:1,2-d]pyrazin-5a(6H)-yl)-2-propanyl carbamate

NCGC00380964-01_C14H21N3O4_1-(5,10-Dioxohexahydro-1H,5H-dipyrrolo[1,2-a:1,2-d]pyrazin-5a(6H)-yl)-2-propanyl carbamate

C14H21N3O4 (295.1531986)


   

C14H17NO6_(beta-D-Glucopyranosyloxy)(phenyl)acetonitrile

NCGC00168992-02_C14H17NO6_(beta-D-Glucopyranosyloxy)(phenyl)acetonitrile

C14H17NO6 (295.1055822)


   

ESMOLOL

ESMOLOL

C16H25NO4 (295.178349)


C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists

   

sumatriptan

sumatriptan

C14H21N3O2S (295.13544060000004)


N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Sumatriptan (GR 43175) is an orally active 5-HT1 receptor agonist with IC50s of 7.3 nm, 9.3nm and 17.8 nm for 5-HT1D, 5-HT1B and 5-HT1F receptors, respectively. Sumatriptan can be used for migraine headache research[1][2][3][4].

   

prulaurasin

2-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

C14H17NO6 (295.1055822)


D004791 - Enzyme Inhibitors

   

1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1,2-f]pyrazin-10a-yl)propan-2-yl carbamate

1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1,2-f]pyrazin-10a-yl)propan-2-yl carbamate

C14H21N3O4 (295.1531986)


   
   

Dosulepin

(E)-Dosulepin

C19H21NS (295.13946260000006)


N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu)

   
   

INDOXYL ?-GLUCOSIDE

INDOXYL ?-GLUCOSIDE

C14H17NO6 (295.1055822)


   

O6-Ethyl-deoxyguanosine

O6-Ethyl-deoxyguanosine

C12H17N5O4 (295.1280482)


   

1-Ethyl-deoxyguanosine

1-Ethyl-deoxyguanosine

C12H17N5O4 (295.1280482)


   
   

N2-Ethyl-deoxyguanosine

N2-Ethyl-deoxyguanosine

C12H17N5O4 (295.1280482)


   
   
   

8-Hydroxydesmethylondansetron

8-Hydroxydesmethylondansetron

C17H17N3O2 (295.1320702)


   

7-Hydroxydesmethylondansetron

7-Hydroxydesmethylondansetron

C17H17N3O2 (295.1320702)


   

6-Hydroxydesmethylondansetron

6-Hydroxydesmethylondansetron

C17H17N3O2 (295.1320702)


   
   
   
   
   

3-Pyrrolidineacetic acid, 5-oxo-4,4-diphenyl- (9CI)

3-Pyrrolidineacetic acid, 5-oxo-4,4-diphenyl- (9CI)

C18H17NO3 (295.1208372)


   
   
   
   
   
   

(2R,4R)-tert-butyl 4-(hydroxymethyl)-2-phenylthiazolidine-3-carboxylate

(2R,4R)-tert-butyl 4-(hydroxymethyl)-2-phenylthiazolidine-3-carboxylate

C15H21NO3S (295.12420760000003)


   

Asn-tyr

2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanoic acid

C13H17N3O5 (295.1168152)


A dipeptide composed of L-asparagine and L-tyrosine joined by a peptide linkage.

   

Tyr-asn

2-(2-amino-3-carbamoylpropanamido)-3-(4-hydroxyphenyl)propanoic acid

C13H17N3O5 (295.1168152)


   

(E)-Herclavine

(2E)-N-[2-(4-methoxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide

C19H21NO2 (295.1572206)


   
   

Passiedulin

2-phenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile

C14H17NO6 (295.1055822)


   

7-Hydroxyheptaphylline

2,7-Dihydroxy-1-(3-methyl-2-butenyl)-9H-carbazole-3-carboxaldehyde, 9ci

C18H17NO3 (295.1208372)


A natural product found in Clausena harmandiana.

   

TERTATOLOL

tert-butyl[3-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)-2-hydroxypropyl]amine

C16H25NO2S (295.160591)


C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents

   

Norquetiapine

11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine

C17H17N3S (295.11431220000003)


   

1-(5,10-Dioxohexahydro-1H,5H-dipyrrolo[1,2-a:1,2-d]pyrazin-5a(6H)-yl)-2-propanyl carbamate

1-(5,10-Dioxohexahydro-1H,5H-dipyrrolo[1,2-a:1,2-d]pyrazin-5a(6H)-yl)-2-propanyl carbamate

C14H21N3O4 (295.1531986)


   

5-cis-3-oxo-C12-HSL

N-(3-oxo-5Z-dodecenoyl)-homoserine lactone

C16H25NO4 (295.178349)


   

(S)-malyl alpha-D-glucosaminide

GlcN-Mal;alpha-D-GlcN-L-Mal;malyl-D-glucosamine

C10H17NO9 (295.09032720000005)


A D-glucosaminide having (S)-malyl as the anomeric substituent and alpha-configuration at the anomeric centre.

   

2-Methyl-2-propanyl 2-{[4-(2-aminoethyl)phenyl]sulfanyl}-2-methyl propanoate

2-Methyl-2-propanyl 2-{[4-(2-aminoethyl)phenyl]sulfanyl}-2-methyl propanoate

C16H25NO2S (295.160591)


   

3-(PYRROLIDINE-1-CARBONYL)-[1,1-BIPHENYL]-2-CARBOXYLIC ACID

3-(PYRROLIDINE-1-CARBONYL)-[1,1-BIPHENYL]-2-CARBOXYLIC ACID

C18H17NO3 (295.1208372)


   

2-BENZYLOXY-3-TERT-BUTOXYCARBONYLAMINO-PROPIONIC ACID

2-BENZYLOXY-3-TERT-BUTOXYCARBONYLAMINO-PROPIONIC ACID

C15H21NO5 (295.1419656)


   

4-Nitro-2-(2,5,5-trimethyl-[1,3]dioxan-2-yl)-benzoic acid

4-Nitro-2-(2,5,5-trimethyl-[1,3]dioxan-2-yl)-benzoic acid

C14H17NO6 (295.1055822)


   

1-Piperazineaceticacid, 4-methyl-, 2-[(5-nitro-2-furanyl)methylene]hydrazide

1-Piperazineaceticacid, 4-methyl-, 2-[(5-nitro-2-furanyl)methylene]hydrazide

C12H17N5O4 (295.1280482)


   

2-BENZOXAZOL-2-YL-1-(4-TERTBUTYLPHENYL)ETHANOL

2-BENZOXAZOL-2-YL-1-(4-TERTBUTYLPHENYL)ETHANOL

C19H21NO2 (295.1572206)


   
   

N-(2-Chlorobenzyl)-1-phenyl-2-propanamine hydrochloride (1:1)

N-(2-Chlorobenzyl)-1-phenyl-2-propanamine hydrochloride (1:1)

C16H19Cl2N (295.08944740000004)


   

4-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)BENZONITRILE

4-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)BENZONITRILE

C16H18BN3O2 (295.1491998)


   

Floredil

4-[2-(3,5-Diethoxyphenoxy)ethyl]morpholine

C16H25NO4 (295.178349)


C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent

   

N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C18H22BNO2 (295.1743502)


   

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-(hydroxymethyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-(hydroxymethyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

C14H15F2N3O2 (295.11322739999997)


   

2,2-DIPHENYL-1-ETHYLBORONIC ACID DIETHANOLAMINE ESTER

2,2-DIPHENYL-1-ETHYLBORONIC ACID DIETHANOLAMINE ESTER

C18H22BNO2 (295.1743502)


   

(3-CYCLOPROPANECARBONYL-PHENYL)-CARBAMIC ACID BENZYL ESTER

(3-CYCLOPROPANECARBONYL-PHENYL)-CARBAMIC ACID BENZYL ESTER

C18H17NO3 (295.1208372)


   

methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate

methyl-3-isocyano-3-(4-benzyloxyphenyl)propionate

C18H17NO3 (295.1208372)


   

7-tert-Butyl 2-ethyl 5,6-dihydroimidazo[1,2-a]pyrazine-2,7(8H)-dicarboxylate

7-tert-Butyl 2-ethyl 5,6-dihydroimidazo[1,2-a]pyrazine-2,7(8H)-dicarboxylate

C14H21N3O4 (295.1531986)


   

4,6-Di-morpholin-4-yl-[1,3,5]triazine-2-carboxylic acid

4,6-Di-morpholin-4-yl-[1,3,5]triazine-2-carboxylic acid

C12H17N5O4 (295.1280482)


   

(2S,3R)-3-((TERT-BUTOXYCARBONYL)AMINO)-2-HYDROXY-4-PHENYLBUTANOIC ACID

(2S,3R)-3-((TERT-BUTOXYCARBONYL)AMINO)-2-HYDROXY-4-PHENYLBUTANOIC ACID

C15H21NO5 (295.1419656)


   

1-BOC-4-(4-CHLOROPHENYL)PIPERIDINE

1-BOC-4-(4-CHLOROPHENYL)PIPERIDINE

C16H22ClNO2 (295.1338982)


   

(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

C17H17N3O2 (295.1320702)


   
   

TRIADIMENOL

TRIADIMENOL

C14H18ClN3O2 (295.1087478)


A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts. D016573 - Agrochemicals D010575 - Pesticides

   
   

1-HYDROXYBENZOTRIAZOLEHYDRATE

1-HYDROXYBENZOTRIAZOLEHYDRATE

C17H17N3O2 (295.1320702)


   

4-(2-Fluorophenoxy)-1-piperidinecarboxylic acid tert-butyl ester

4-(2-Fluorophenoxy)-1-piperidinecarboxylic acid tert-butyl ester

C16H22FNO3 (295.1583634)


   

N-Phenylaza-15-crown 5-Ether

N-Phenylaza-15-crown 5-Ether

C16H25NO4 (295.178349)


   

tyr-gly-gly

H-TYR-GLY-GLY-OH

C13H17N3O5 (295.1168152)


A tripeptide composed of one L-tyrosine and two glycine residues joined in sequence.

   

2-(3-OXO-1,2,3,4-TETRAHYDRO-QUINOXALIN-2-YL)-N-P-TOLYL-ACETAMIDE

2-(3-OXO-1,2,3,4-TETRAHYDRO-QUINOXALIN-2-YL)-N-P-TOLYL-ACETAMIDE

C17H17N3O2 (295.1320702)


   

(5-AMINO-2-METHOXY-PHENYL)-CARBAMICACIDTERT-BUTYLESTER

(5-AMINO-2-METHOXY-PHENYL)-CARBAMICACIDTERT-BUTYLESTER

C17H17N3O2 (295.1320702)


   

Methyl 1-benzyl-L-histidinate hydrochloride (1:1)

Methyl 1-benzyl-L-histidinate hydrochloride (1:1)

C14H18ClN3O2 (295.1087478)


   

Dibenamine hydrochloride

Dibenamine hydrochloride

C16H19Cl2N (295.08944740000004)


Dibenamine hydrochloride is a competitive and irreversible?adrenergic blocking agent and?is known to modify the pharmacological effects of epinephrine. Dibenamine hydrochloride cause a significant increase in the rate of destruction of I-epinephrine in the mouse[1][2].

   
   
   

(R)-(+)-5,5-DIPHENYL-4-ISOBUTYL-2-OXAZOLIDINONE

(R)-(+)-5,5-DIPHENYL-4-ISOBUTYL-2-OXAZOLIDINONE

C19H21NO2 (295.1572206)


   

(S)-Boc-3-Methoxy-β-Phe-OH

(S)-Boc-3-Methoxy-β-Phe-OH

C15H21NO5 (295.1419656)


   

boc-(r)-3-amino-3-(2-methoxy-phenyl)-propionic acid

boc-(r)-3-amino-3-(2-methoxy-phenyl)-propionic acid

C15H21NO5 (295.1419656)


   

(R)-Boc-3-methoxy-β-Phe-OH

(R)-Boc-3-methoxy-β-Phe-OH

C15H21NO5 (295.1419656)


   

Boc-D-phe(4-OCH3)-OH

Boc-D-phe(4-OCH3)-OH

C15H21NO5 (295.1419656)


   

Chlorothen

Chloropyrilene

C14H18ClN3S (295.09098980000005)


C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   

2,3,6-PYRIDINETRICARBOXYLIC ACID, 2,3,6-TRIETHYL ESTER

2,3,6-PYRIDINETRICARBOXYLIC ACID, 2,3,6-TRIETHYL ESTER

C14H17NO6 (295.1055822)


   

9-(3,4-dichlorophenyl)-3-azaspiro[5.5]undec-9-ene

9-(3,4-dichlorophenyl)-3-azaspiro[5.5]undec-9-ene

C16H19Cl2N (295.08944740000004)


   

methyl 3-[(tert-butoxycarbonyl)amino]-3-(3-hydroxyphenyl)propanoate

methyl 3-[(tert-butoxycarbonyl)amino]-3-(3-hydroxyphenyl)propanoate

C15H21NO5 (295.1419656)


   

N-(4-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide

N-(4-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide

C14H19BClNO3 (295.1146444)


   
   

[2-(2,4-dimethoxy-phenyl)-2-oxo-ethyl]-carbamic acid tert-butyl ester

[2-(2,4-dimethoxy-phenyl)-2-oxo-ethyl]-carbamic acid tert-butyl ester

C15H21NO5 (295.1419656)


   

2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-3-carboxylic acid

2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-3-carboxylic acid

C14H21N3O4 (295.1531986)


   

Boc-O-Benzyl-D-threoninol

Boc-O-Benzyl-D-threoninol

C16H25NO4 (295.178349)


   
   

(S)-2-(((BENZYLOXY)CARBONYL)AMINO)HEXANEDIOIC ACID

(S)-2-(((BENZYLOXY)CARBONYL)AMINO)HEXANEDIOIC ACID

C14H17NO6 (295.1055822)


   

Methyl 1-benzyl-3-phenyl-3-pyrrolidinecarboxylate

Methyl 1-benzyl-3-phenyl-3-pyrrolidinecarboxylate

C19H21NO2 (295.1572206)


   

4-aminobenzoic acid,(2,5-dioxoimidazolidin-4-yl)urea

4-aminobenzoic acid,(2,5-dioxoimidazolidin-4-yl)urea

C11H13N5O5 (295.09166480000005)


   

4-chloro-N-[1-(N-hydroxycarbamimidoyl)cyclohexyl]benzamide

4-chloro-N-[1-(N-hydroxycarbamimidoyl)cyclohexyl]benzamide

C14H18ClN3O2 (295.1087478)


   

[2-(3,4-dimethoxy-phenyl)-2-oxo-ethyl]-carbamic acid tert-butyl ester

[2-(3,4-dimethoxy-phenyl)-2-oxo-ethyl]-carbamic acid tert-butyl ester

C15H21NO5 (295.1419656)


   

3-(3-PHENYLAMINO-PROPYL)-1H-QUINAZOLINE-2,4-DIONE

3-(3-PHENYLAMINO-PROPYL)-1H-QUINAZOLINE-2,4-DIONE

C17H17N3O2 (295.1320702)


   

Dexpropranolol hydrochloride

(R)-Propranolol hydrochloride

C16H22ClNO2 (295.1338982)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents (R)-Propranolol hydrochloride is a less active enantiomer of the?β-adrenoceptor antagonist?propranolol (HY-B0573). Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1].

   
   

1-[2-(2-METHOXY-PHENOXY)-ETHYL]-1H-INDOLE-3-CARBALDEHYDE

1-[2-(2-METHOXY-PHENOXY)-ETHYL]-1H-INDOLE-3-CARBALDEHYDE

C18H17NO3 (295.1208372)


   

5-tert-butyl 3-ethyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate

5-tert-butyl 3-ethyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate

C14H21N3O4 (295.1531986)


   
   

Boc-O-methyl-L-tyrosine

Boc-O-methyl-L-tyrosine

C15H21NO5 (295.1419656)


   
   

(2S,4R)-1-(Diisopropoxyphosphoryl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(Diisopropoxyphosphoryl)-4-hydroxypyrrolidine-2-carboxylic acid

C11H22NO6P (295.1184682)


   

tert-Butyl 4-(4-amino-2-fluorophenyl)piperazine-1-carboxylate

tert-Butyl 4-(4-amino-2-fluorophenyl)piperazine-1-carboxylate

C15H22FN3O2 (295.1695964)


   

2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

C18H17NO3 (295.1208372)


   

4-BOC-2-(4-FLUOROPHENYL)-2-METHYLMORPHOLINE

4-BOC-2-(4-FLUOROPHENYL)-2-METHYLMORPHOLINE

C16H22FNO3 (295.1583634)


   

methyl 1-benzyl-4-phenylpyrrolidine-3-carboxylate

methyl 1-benzyl-4-phenylpyrrolidine-3-carboxylate

C19H21NO2 (295.1572206)


   

Benzyl N-Benzylpyrrolidine-3-carboxylate

Benzyl N-Benzylpyrrolidine-3-carboxylate

C19H21NO2 (295.1572206)


   

N-Cyclohexylcarbamic acid [1,1-biphenyl]-3-yl ester

N-Cyclohexylcarbamic acid [1,1-biphenyl]-3-yl ester

C19H21NO2 (295.1572206)


   

Azidamfenicol

Azidamfenicol

C11H13N5O5 (295.09166480000005)


S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics C254 - Anti-Infective Agent > C258 - Antibiotic

   

Eperisone hydrochloride

Eperisone hydrochloride

C17H26ClNO (295.1702816)


D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

   

N-[1,1-biphenyl]-4-yl-1-naphthalenamine

N-[1,1-biphenyl]-4-yl-1-naphthalenamine

C22H17N (295.1360922)


   

5-Benzyloxyindole-3-acetic acid methyl ester

5-Benzyloxyindole-3-acetic acid methyl ester

C18H17NO3 (295.1208372)


   

1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]ethanone

C18H21N3O (295.1684536)


   

Fmoc-D-Ala-aldehyde

Fmoc-D-Ala-aldehyde

C18H17NO3 (295.1208372)


   
   

Di-(tert-butyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Di-(tert-butyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

C16H25NO4 (295.178349)


   

Ethyl 1-(diphenylmethyl)-3-azetidinecarboxylate

Ethyl 1-(diphenylmethyl)-3-azetidinecarboxylate

C19H21NO2 (295.1572206)


   
   

Choline Citrate (1:1) (Salt)

Choline Citrate (1:1) (Salt)

C11H21NO8 (295.1267106)


   

1-[4-[(4-butoxyphenyl)methylideneamino]phenyl]ethanone

1-[4-[(4-butoxyphenyl)methylideneamino]phenyl]ethanone

C19H21NO2 (295.1572206)


   

3-N-Boc-Amino-3-(4-methoxyphenyl)propionic acid

3-N-Boc-Amino-3-(4-methoxyphenyl)propionic acid

C15H21NO5 (295.1419656)


   

Boc-beta-(S)-4-methoxyphenylalanine

Boc-beta-(S)-4-methoxyphenylalanine

C15H21NO5 (295.1419656)


   

(R)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-(2-METHOXYPHENYL)PROPANOIC ACID

(R)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-(2-METHOXYPHENYL)PROPANOIC ACID

C15H21NO5 (295.1419656)


   
   

(S)-(-)-5,5-DIPHENYL-4-ISOBUTYL-2-OXAZOLIDINONE

(S)-(-)-5,5-DIPHENYL-4-ISOBUTYL-2-OXAZOLIDINONE

C19H21NO2 (295.1572206)


   

1,3-Dibenzyl-3-pyrrolidinecarboxylic acid

1,3-Dibenzyl-3-pyrrolidinecarboxylic acid

C19H21NO2 (295.1572206)


   

(4S)-1-Benzoyl-4-phenyl-L-proline

(4S)-1-Benzoyl-4-phenyl-L-proline

C18H17NO3 (295.1208372)


   

H-Gly-Gly-Tyr-OH

Glycylglycyl-L-tyrosine

C13H17N3O5 (295.1168152)


   

Entecavir hydrate

Entecavir monohydrate

C12H17N5O4 (295.1280482)


C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent Entecavir monohydrate (BMS200475 monohydrate; SQ34676 monohydrate) is a potent and selective inhibitor of HBV, with an EC50 of 3.75 nM in HepG2 cell.

   

(S)-ETHYL 1-(2-CYCLOHEXYL-2-OXOACETYL)PIPERIDINE-2-CARBOXYLATE

(S)-ETHYL 1-(2-CYCLOHEXYL-2-OXOACETYL)PIPERIDINE-2-CARBOXYLATE

C16H25NO4 (295.178349)


   

6-methyl-2,4-diphenylquinoline

6-methyl-2,4-diphenylquinoline

C22H17N (295.1360922)


   

(S)-(-)-4-(2-CHLOROPHENYL)-2-HYDROXY-5,5-DIMETHYL-1,3,2-DIOXAPHOSPHORINANE2-OXIDE

(S)-(-)-4-(2-CHLOROPHENYL)-2-HYDROXY-5,5-DIMETHYL-1,3,2-DIOXAPHOSPHORINANE2-OXIDE

C19H21NO2 (295.1572206)


   

3MB-PP1

1-Tert-Butyl-3-(3-Methylbenzyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine

C17H21N5 (295.1796866)


   
   

N-BUTYL-3-METHYLPYRIDINIUM HEXAFLUOROPHOSPHATE

N-BUTYL-3-METHYLPYRIDINIUM HEXAFLUOROPHOSPHATE

C10H16F6NP (295.0924498)


   
   

4,6-DIAMINO-1-(4-METHOXY-PHENYL)-2-OXO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBONITRILE

4,6-DIAMINO-1-(4-METHOXY-PHENYL)-2-OXO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBONITRILE

C15H13N5O2 (295.1069198)


   

Indoxyl-ß-D-galactopyranoside

Indoxyl-ß-D-galactopyranoside

C14H17NO6 (295.1055822)


   
   

6-PHENYLBENZO[4,5]IMIDAZO[1,2-C]QUINAZOLINE

6-PHENYLBENZO[4,5]IMIDAZO[1,2-C]QUINAZOLINE

C20H13N3 (295.11094180000003)


   

3-(2-(BENZYLAMINO)ETHYL)QUINAZOLINE-2,4(1H,3H)-DIONE

3-(2-(BENZYLAMINO)ETHYL)QUINAZOLINE-2,4(1H,3H)-DIONE

C17H17N3O2 (295.1320702)


   

(9-ETHYL-9H-CARBAZOL-3-YLMETHYL)-HYDRAZINE

(9-ETHYL-9H-CARBAZOL-3-YLMETHYL)-HYDRAZINE

C18H17NO3 (295.1208372)


   

4-Hydroxy tolbutamide

hydroxy tolbutamide-d9

C12H9D9N2O4S (295.155217402)


4-Hydroxy tolbutamide is a hydroxylation byproduct of tolbutamide. Tolbutamide is a first generation potassium channel blocker. It is a sulfonylurea oral hypoglycemic drug sold under the brand name Orinase. This drug may be used in the management of type II diabetes if diet alone is not effective. Tolbutamide stimulates the secretion of insulin by the pancreas. [HMDB]

   

3-morpholin-4-yl-1,2-diphenylpropan-1-one

3-morpholin-4-yl-1,2-diphenylpropan-1-one

C19H21NO2 (295.1572206)


   

2-CARBETHOXY-4-BENZYLOXYINDOLE

2-CARBETHOXY-4-BENZYLOXYINDOLE

C18H17NO3 (295.1208372)


   

1-benzyl-4-phenylpiperidine-4-carboxylic acid

1-benzyl-4-phenylpiperidine-4-carboxylic acid

C19H21NO2 (295.1572206)


   

2-diethoxyphosphoryl-1-(1H-indol-3-yl)ethanone

2-diethoxyphosphoryl-1-(1H-indol-3-yl)ethanone

C14H18NO4P (295.09733980000004)


   

Benzeneacetonitrile, a-(3-chloropropyl)-3,4-dimethoxy-a-(1-methylethyl)-

Benzeneacetonitrile, a-(3-chloropropyl)-3,4-dimethoxy-a-(1-methylethyl)-

C16H22ClNO2 (295.1338982)


   

(2R,3R)-3-((TERT-BUTOXYCARBONYL)AMINO)-2-HYDROXY-4-PHENYLBUTANOIC ACID

(2R,3R)-3-((TERT-BUTOXYCARBONYL)AMINO)-2-HYDROXY-4-PHENYLBUTANOIC ACID

C15H21NO5 (295.1419656)


   

beta-1-Cyclohexen-1-yl-4-methoxy-N,N-dimethylbenzeneethanamine hydrochloride

beta-1-Cyclohexen-1-yl-4-methoxy-N,N-dimethylbenzeneethanamine hydrochloride

C17H26ClNO (295.1702816)


   
   
   
   

1-Butyl-4-methylpyridinium hexafluorophosphate

1-Butyl-4-methylpyridinium hexafluorophosphate

C10H16F6NP (295.0924498)


   

N-Benzyl-N,N,N-trimethylammonium hexafluorophosphate

N-Benzyl-N,N,N-trimethylammonium hexafluorophosphate

C10H16F6NP (295.0924498)


   

6-METHYL-4-PIPERAZINO-2-(TRIFLUOROMETHYL)QUINOLINE

6-Methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline

C15H16F3N3 (295.1296252)


   

2-((TERT-BUTOXYCARBONYL)AMINO)-3-(4-METHOXYPHENYL)PROPANOIC ACID

2-((TERT-BUTOXYCARBONYL)AMINO)-3-(4-METHOXYPHENYL)PROPANOIC ACID

C15H21NO5 (295.1419656)


   

boc-(s)-3-amino-3-(2-methoxy-phenyl)-propionic acid

boc-(s)-3-amino-3-(2-methoxy-phenyl)-propionic acid

C15H21NO5 (295.1419656)


   

N-Boc-O-Benzyl-D-serine

N-Boc-O-Benzyl-D-serine

C15H21NO5 (295.1419656)


   

3-(boc-amino)-3-(3-methoxyphenyl)propionic acid

3-(boc-amino)-3-(3-methoxyphenyl)propionic acid

C15H21NO5 (295.1419656)


   
   

Propranolol hydrochloride

Propranolol hydrochloride

C16H22ClNO2 (295.1338982)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Propranolol hydrochloride is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol hydrochloride is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol hydrochloride is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3].

   

4-AMINO-BENZOIC ACID 3-(1H-BENZOIMIDAZOL-2-YL)-PROPYL ESTER

4-AMINO-BENZOIC ACID 3-(1H-BENZOIMIDAZOL-2-YL)-PROPYL ESTER

C17H17N3O2 (295.1320702)


   

3-(5,6-dimethyl-1H-indol-2-yl)-4-methoxybenzoic acid

3-(5,6-dimethyl-1H-indol-2-yl)-4-methoxybenzoic acid

C18H17NO3 (295.1208372)


   
   

(1-(1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)-1H-PYRAZOL-4-YL)BORONIC ACID

(1-(1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)-1H-PYRAZOL-4-YL)BORONIC ACID

C13H22BN3O4 (295.17032820000003)


   

N-(tert-Butoxycarbonyl)-3-methoxy-D-phenylalanine

N-(tert-Butoxycarbonyl)-3-methoxy-D-phenylalanine

C15H21NO5 (295.1419656)


   
   

5-(2,1,3-benzoxadiazol-5-yl)-N-cyclopentyl-2-methylpyrimidin-4-amine

5-(2,1,3-benzoxadiazol-5-yl)-N-cyclopentyl-2-methylpyrimidin-4-amine

C16H17N5O (295.1433032)


   

tert-Butyl 2-((diphenylmethylene)amino)acetate

tert-Butyl 2-((diphenylmethylene)amino)acetate

C19H21NO2 (295.1572206)


   
   
   

3,3-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one

3,3-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one

C14H16BF2NO3 (295.119124)


   

Sulodexide

Adenosine, N-methyl-2-O-methyl-

C12H17N5O4 (295.1280482)


B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AB - Heparin group D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D006401 - Hematologic Agents > D000925 - Anticoagulants D009676 - Noxae > D000963 - Antimetabolites D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D007004 - Hypoglycemic Agents

   

2-chloro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide

2-chloro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide

C14H19BClNO3 (295.1146444)


   

Lysergic acid ethylamide

9,10-Didehydro-N-ethyl-6-methylergoline-8β-carboxamide

C18H21N3O (295.1684536)


   

1,2,3-Triphenyl-1H-pyrrole

1,2,3-Triphenyl-1H-pyrrole

C22H17N (295.1360922)


   

(4-(Benzyloxy)phenyl)(piperidin-4-yl)Methanone

(4-(Benzyloxy)phenyl)(piperidin-4-yl)Methanone

C19H21NO2 (295.1572206)


   
   

MONOMETHYL (ETHYLENE GLYCOL)PROPYLTRICHLOROSILANE

MONOMETHYL (ETHYLENE GLYCOL)PROPYLTRICHLOROSILANE

CH3O(C2H4O)6-9C3H6Cl3Si (295.1756692)


   

Benzyl (2S,3aR,7aS)-octahydroindole-2-carboxylate hydrochloride

Benzyl (2S,3aR,7aS)-octahydroindole-2-carboxylate hydrochloride

C16H22ClNO2 (295.1338982)


   

D(+)-VESAMICOL HYDROCHLORIDE

D(+)-VESAMICOL HYDROCHLORIDE

C17H26ClNO (295.1702816)


   

(S)-3-(3-ACETYLPHENYL)-4-ETHYLOXAZOLIDIN-2-ONE

(S)-3-(3-ACETYLPHENYL)-4-ETHYLOXAZOLIDIN-2-ONE

C18H17NO3 (295.1208372)


   
   

3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one

3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one

C15H18ClNO3 (295.0975148)


   
   

N-(4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide

N-(4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide

C14H19BClNO3 (295.1146444)


   

(S)-(-)-PROPRANOLOL HYDROCHLORIDE

(S)-(-)-PROPRANOLOL HYDROCHLORIDE

C16H22ClNO2 (295.1338982)


(S)-(-)-Propranolol hydrochloride is a β-adrenergic receptor antagonist with log Kd?values of -8.16, -9.08, and -6.93 for β1, β2, and β3, respectively. (S)-(-)-Propranolol hydrochloride the active enantiomer of propranolol and can be s used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[2].

   

ethyl 1-benzhydrylazetidine-2-carboxylate

ethyl 1-benzhydrylazetidine-2-carboxylate

C19H21NO2 (295.1572206)


   

2-AMINO-1,4-DIHYDRO-4-PHENYL-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, ETHYL ESTER

2-AMINO-1,4-DIHYDRO-4-PHENYL-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, ETHYL ESTER

C17H17N3O2 (295.1320702)


   

Boc-L-Tyrosine methyl ester

Boc-L-Tyrosine methyl ester

C15H21NO5 (295.1419656)


   

P,P-di(aziridin-1-yl)-N-(2-(diethylamino)pyridin-4-yl)phosphinic amide

P,P-di(aziridin-1-yl)-N-(2-(diethylamino)pyridin-4-yl)phosphinic amide

C13H22N5OP (295.15618920000003)


   

(9H-Fluoren-9-yl)methyl 3-hydroxyazetidine-1-carboxylate

(9H-Fluoren-9-yl)methyl 3-hydroxyazetidine-1-carboxylate

C18H17NO3 (295.1208372)


   

(1,2,4)Triazolo(1,5-a)pyrazine

(1,2,4)Triazolo(1,5-a)pyrazine

C18H21N3O (295.1684536)


   

4-CHLORO-5-FORMYL-3,6,6-TRIMETHYL-6,7-DIHYDRO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER

4-CHLORO-5-FORMYL-3,6,6-TRIMETHYL-6,7-DIHYDRO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER

C15H18ClNO3 (295.0975148)


   
   

5-Benzyloxyindole-3-carboxylic acid ethyl ester

5-Benzyloxyindole-3-carboxylic acid ethyl ester

C18H17NO3 (295.1208372)


   

Nepicastat

Nepicastat

C14H15F2N3S (295.0954694)


C471 - Enzyme Inhibitor

   
   

1-Benzyl 3-methyl 3-fluoro-1,3-piperidinedicarboxylate

1-Benzyl 3-methyl 3-fluoro-1,3-piperidinedicarboxylate

C15H18FNO4 (295.12198)


   

Beloxepin

Beloxepin

C19H21NO2 (295.1572206)


C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

   

Celgosivir hydrochloride

Celgosivir hydrochloride

C12H22ClNO5 (295.1186432)


C471 - Enzyme Inhibitor > C2846 - Glucosidase Inhibitor

   

Cytidine5-monophosphate

Cytidine5-monophosphate

C14H15F2N3S (295.0954694)


   

3-Allyl-2,3,4,5-tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine

3-Allyl-2,3,4,5-tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine

C19H21NO2 (295.1572206)


D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists

   

2-Deoxy-N-ethylguanosine

2-Deoxy-N-ethylguanosine

C12H17N5O4 (295.1280482)


   

6-[4-(Methylthio)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline

Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6R,10bS)-

C19H21NS (295.13946260000006)


D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists

   

2-{[(1-butyl-1H-benzimidazol-2-yl)amino]methyl}phenol

2-{[(1-butyl-1H-benzimidazol-2-yl)amino]methyl}phenol

C18H21N3O (295.1684536)


   

O(6)-Ethyl-2-deoxyguanosine

O(6)-Ethyl-2-deoxyguanosine

C12H17N5O4 (295.1280482)


   

(6aS)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol

(6aS)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol

C19H21NO2 (295.1572206)


   

1-(2,6-Dimethyl-4-morpholinyl)-3-(4-methoxyphenoxy)-2-propanol

1-(2,6-Dimethyl-4-morpholinyl)-3-(4-methoxyphenoxy)-2-propanol

C16H25NO4 (295.178349)


   
   
   

1-[2-(4-Phenylmethoxyphenoxy)ethyl]-1,2,4-triazole

1-[2-(4-Phenylmethoxyphenoxy)ethyl]-1,2,4-triazole

C17H17N3O2 (295.1320702)


   

6-Phenyl-5-(1-piperidinyl)-2-prop-2-enyl-3-pyridazinone

6-Phenyl-5-(1-piperidinyl)-2-prop-2-enyl-3-pyridazinone

C18H21N3O (295.1684536)


   

3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone

3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone

C19H21NO2 (295.1572206)


   

furan-2-yl-[4-(1H-indol-4-yl)piperazin-1-yl]methanone

furan-2-yl-[4-(1H-indol-4-yl)piperazin-1-yl]methanone

C17H17N3O2 (295.1320702)


   

5-Methyl-2-(2-phenoxyethyl)-4-phenyl-1,2,4-triazol-3-one

5-Methyl-2-(2-phenoxyethyl)-4-phenyl-1,2,4-triazol-3-one

C17H17N3O2 (295.1320702)


   

(E)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide

(E)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide

C17H17N3O2 (295.1320702)


   

N-(2-Carboxy-6-methylphenyl)-N-(methoxyacetyl)-DL-alanine

N-(2-Carboxy-6-methylphenyl)-N-(methoxyacetyl)-DL-alanine

C14H17NO6 (295.1055822)


   

1-(Quinolin-8-yl)-9H-pyrido[3,4-b]indole

1-(Quinolin-8-yl)-9H-pyrido[3,4-b]indole

C20H13N3 (295.11094180000003)


   

(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol

(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol

C14H17NO6 (295.1055822)


   

1-(2,5-Dideoxy-5-Pyrrolidin-1-Yl-Beta-L-Erythro-Pentofuranosyl)-5-Methylpyrimidine-2,4(1h,3h)-Dione

1-(2,5-Dideoxy-5-Pyrrolidin-1-Yl-Beta-L-Erythro-Pentofuranosyl)-5-Methylpyrimidine-2,4(1h,3h)-Dione

C14H21N3O4 (295.1531986)


   

Indobufen

Indobufen

C18H17NO3 (295.1208372)


B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors

   

Pitolisant

Pitolisant

C17H26ClNO (295.1702816)


C78272 - Agent Affecting Nervous System N - Nervous system Pitolisant is a potent and selective nonimidazole inverse agonist at the recombinant human histamine H3 receptor (Ki=0.16 nM).

   
   

Nuciferin

4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (R)- (9CI)

C19H21NO2 (295.1572206)


Nuciferine is an antagonist at 5-HT2A (IC50=478 nM), 5-HT2C (IC50=131 nM), and 5-HT2B (IC50=1 μM), an inverse agonist at 5-HT7 (IC50=150 nM), a partial agonist at D2 (EC50=64 nM), D5 (EC50=2.6 μM) and 5-HT6 (EC50=700 nM), an agonist at 5-HT1A (EC50=3.2 μM) and D4 (EC50=2 μM) receptor. Nuciferine is an antagonist at 5-HT2A (IC50=478 nM), 5-HT2C (IC50=131 nM), and 5-HT2B (IC50=1 μM), an inverse agonist at 5-HT7 (IC50=150 nM), a partial agonist at D2 (EC50=64 nM), D5 (EC50=2.6 μM) and 5-HT6 (EC50=700 nM), an agonist at 5-HT1A (EC50=3.2 μM) and D4 (EC50=2 μM) receptor. Nuciferine is an antagonist at 5-HT2A (IC50=478 nM), 5-HT2C (IC50=131 nM), and 5-HT2B (IC50=1 μM), an inverse agonist at 5-HT7 (IC50=150 nM), a partial agonist at D2 (EC50=64 nM), D5 (EC50=2.6 μM) and 5-HT6 (EC50=700 nM), an agonist at 5-HT1A (EC50=3.2 μM) and D4 (EC50=2 μM) receptor.

   

5,8,11,14-Eicosatetraynoate

5,8,11,14-Eicosatetraynoate

C20H23O2- (295.1697958)


   

(R)-[(2S,5R)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol

(R)-[(2S,5R)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol

C19H23N2O+ (295.1810288)


   

(S)-[(2S,4R,5S)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol

(S)-[(2S,4R,5S)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol

C19H23N2O+ (295.1810288)


   

Nona-2,4,6-trienoylcarnitine

Nona-2,4,6-trienoylcarnitine

C16H25NO4 (295.178349)


   

Nona-3,5,7-trienoylcarnitine

Nona-3,5,7-trienoylcarnitine

C16H25NO4 (295.178349)


   

(2E,4E,7E)-Nona-2,4,7-trienoylcarnitine

(2E,4E,7E)-Nona-2,4,7-trienoylcarnitine

C16H25NO4 (295.178349)


   

Psb 11 hydrochloride

Psb 11 hydrochloride

C16H17N5O (295.1433032)


   

3-Phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-Phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C18H21N3O (295.1684536)


   

Iridium hexammine ion

Iridium hexammine ion

H18IrN6+3 (295.1222288)


   

2-[[(4-Ethylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester

2-[[(4-Ethylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester

C15H21NO3S (295.12420760000003)


   

2-Methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol

2-Methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol

C14H21N3O4 (295.1531986)


   

7-Hydroxy-2-methyl-6-propyl-3-(2-pyridinyl)-1-benzopyran-4-one

7-Hydroxy-2-methyl-6-propyl-3-(2-pyridinyl)-1-benzopyran-4-one

C18H17NO3 (295.1208372)


   

4-amino-2,6-dimethyl-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-3-pyridazinone

4-amino-2,6-dimethyl-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-3-pyridazinone

C16H17N5O (295.1433032)


   

9-methyl-3-[(2-methyl-1-imidazolyl)methyl]-2,3,4a,9a-tetrahydro-1H-carbazol-4-one

9-methyl-3-[(2-methyl-1-imidazolyl)methyl]-2,3,4a,9a-tetrahydro-1H-carbazol-4-one

C18H21N3O (295.1684536)


   
   

6-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-5-methyl-2,3-dihydroisoindol-1-one

6-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-5-methyl-2,3-dihydroisoindol-1-one

C15H21NO5 (295.1419656)


   

1-[(E)-2,3-Dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(2-methoxyethyl)thiourea

1-[(E)-2,3-Dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(2-methoxyethyl)thiourea

C13H17N3O3S (295.09905720000006)


   

N-acetyl-beta-neuraminol

N-acetyl-beta-neuraminol

C11H21NO8 (295.1267106)


   

2-[[4-Amino-2-(ethylamino)-5-thiazolyl]-phenylmethylidene]propanedinitrile

2-[[4-Amino-2-(ethylamino)-5-thiazolyl]-phenylmethylidene]propanedinitrile

C15H13N5S (295.08916180000006)


   

L-Tyrosyl-L-asparagine

L-Tyrosyl-L-asparagine

C13H17N3O5 (295.1168152)


   

N-tert-butyl-6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine

N-tert-butyl-6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine

C17H21N5 (295.1796866)


   

N-{4-[3-(2-methoxyphenyl)acryloyl]phenyl}acetamide

N-{4-[3-(2-methoxyphenyl)acryloyl]phenyl}acetamide

C18H17NO3 (295.1208372)


   

3-[(2-Fluorophenyl)methyl]-7-(1-imidazolyl)triazolo[4,5-d]pyrimidine

3-[(2-Fluorophenyl)methyl]-7-(1-imidazolyl)triazolo[4,5-d]pyrimidine

C14H10FN7 (295.09816720000003)


   

N-[3-(dimethylamino)propyl]-9H-carbazole-3-carboxamide

N-[3-(dimethylamino)propyl]-9H-carbazole-3-carboxamide

C18H21N3O (295.1684536)


   

N-(cyclopentylideneamino)-4-(2,5-dimethyl-1-pyrrolyl)benzamide

N-(cyclopentylideneamino)-4-(2,5-dimethyl-1-pyrrolyl)benzamide

C18H21N3O (295.1684536)


   

N-[(3-methoxyphenyl)methyl]-1-propyl-5-benzimidazolamine

N-[(3-methoxyphenyl)methyl]-1-propyl-5-benzimidazolamine

C18H21N3O (295.1684536)


   

3-[1-(2-Furanylmethyl)-5-phenyl-2-pyrrolyl]propanoic acid

3-[1-(2-Furanylmethyl)-5-phenyl-2-pyrrolyl]propanoic acid

C18H17NO3 (295.1208372)


   

2-hydroxy-N-[(1-methyl-2-oxo-3-indolylidene)amino]benzamide

2-hydroxy-N-[(1-methyl-2-oxo-3-indolylidene)amino]benzamide

C16H13N3O3 (295.0956868)


   

N-(2-oxolanylmethyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine

N-(2-oxolanylmethyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine

C16H17N5O (295.1433032)


   

5-(2-Furanylmethylamino)-2-(4-methoxyphenyl)-4-oxazolecarbonitrile

5-(2-Furanylmethylamino)-2-(4-methoxyphenyl)-4-oxazolecarbonitrile

C16H13N3O3 (295.0956868)


   

3-[3-(4-isopropylphenyl)acryloyl]-4,6-dimethyl-2(1H)-pyridinone

3-[3-(4-isopropylphenyl)acryloyl]-4,6-dimethyl-2(1H)-pyridinone

C19H21NO2 (295.1572206)


   

2-Methoxy-4-(methylthio)benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester

2-Methoxy-4-(methylthio)benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester

C14H17NO4S (295.08782420000006)


   

1-(4-methylphenyl)-5-[(4-morpholinylmethylene)amino]-1H-pyrazole-4-carbonitrile

1-(4-methylphenyl)-5-[(4-morpholinylmethylene)amino]-1H-pyrazole-4-carbonitrile

C16H17N5O (295.1433032)


   

Hydron;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;chloride

Hydron;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;chloride

C16H22ClNO2 (295.1338982)


   

3-[(2,4-dihydroxybenzylidene)amino]-2-methyl-4(3H)-quinazolinone

3-[(2,4-dihydroxybenzylidene)amino]-2-methyl-4(3H)-quinazolinone

C16H13N3O3 (295.0956868)


   

(E)-N-cycloheptyl-3-quinoxalin-2-ylprop-2-enamide

(E)-N-cycloheptyl-3-quinoxalin-2-ylprop-2-enamide

C18H21N3O (295.1684536)


   

7-Chloro-N-[(E)-(2-methylphenyl)methylideneamino]quinolin-4-amine

7-Chloro-N-[(E)-(2-methylphenyl)methylideneamino]quinolin-4-amine

C17H14ClN3 (295.0876194)


   

2-Ethyl-4-(3-methyl-1-piperidinyl)benzofuro[3,2-d]pyrimidine

2-Ethyl-4-(3-methyl-1-piperidinyl)benzofuro[3,2-d]pyrimidine

C18H21N3O (295.1684536)


   

(1S)-1-[5-[(3-fluorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-2-methyl-1-butanamine

(1S)-1-[5-[(3-fluorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-2-methyl-1-butanamine

C14H18FN3OS (295.11545500000005)


   
   

N-butyl-N(2)-[(2Z)-2-(2-furyl)-2-(methoxyimino)acetyl]-L-alaninamide

N-butyl-N(2)-[(2Z)-2-(2-furyl)-2-(methoxyimino)acetyl]-L-alaninamide

C14H21N3O4 (295.1531986)


   

3-Hydroxy-1-methyl-4,5-diphenylpiperidine-2,6-dione

3-Hydroxy-1-methyl-4,5-diphenylpiperidine-2,6-dione

C18H17NO3 (295.1208372)


   

4-{[(2S,5S)-5-[(4-hydroxyphenyl)methyl]-2,5-dihydropyrazin-2-yl]methyl}phenol

4-{[(2S,5S)-5-[(4-hydroxyphenyl)methyl]-2,5-dihydropyrazin-2-yl]methyl}phenol

C18H19N2O2+ (295.1446454)


   

N,N-Dibutyl-2,4-dinitrobenzenamine

N,N-Dibutyl-2,4-dinitrobenzenamine

C14H21N3O4 (295.1531986)


   

N,N-Diisobutyl-2,4-dinitrobenzenamine

N,N-Diisobutyl-2,4-dinitrobenzenamine

C14H21N3O4 (295.1531986)


   

Hexanal O-[(pentafluorophenyl)methyl]oxime

Hexanal O-[(pentafluorophenyl)methyl]oxime

C13H14F5NO (295.0995494)


   

6-Methyl-2-(p-acetamidophenyl)-4-chromanone

6-Methyl-2-(p-acetamidophenyl)-4-chromanone

C18H17NO3 (295.1208372)


   

(5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-1-ium-4-ylmethanol

(5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-1-ium-4-ylmethanol

C19H23N2O+ (295.1810288)


   

Xylopine

(12R)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0{2,6}.0{8,20}.0{14,19}]icosa-1(20),2(6),7,14(19),15,17-hexaene

C18H17NO3 (295.1208372)


Xylopine is an aporphine alkaloid. Xylopine is a natural product found in Dasymaschalon longiflorum, Annona muricata, and other organisms with data available.

   
   
   

N,N-Dimethyladenosine

N6,N6-Dimethyladenosine

C12H17N5O4 (295.1280482)


N6,N6-Dimethyladenosine is a modified ribonucleoside previously found in rRNA, and also exhibits in mycobacterium bovis Bacille Calmette-Guérin tRNA[1].

   
   

PJ34

N~2~,N~2~-Dimethyl-N~1~-(6-oxo-5,6-dihydrophenanthridin-2-YL)glycinamide

C17H17N3O2 (295.1320702)


   

2-[[2-(4-Hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one

2-[[2-(4-Hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one

C19H21NO2 (295.1572206)


D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists

   
   
   
   

(E)-2-hydroxydoxepin

(E)-2-hydroxydoxepin

C19H21NO2 (295.1572206)


   

(S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside

(S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside

C14H17NO6 (295.1055822)


   
   
   

(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-13,14-diol

(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-13,14-diol

C19H21NO2 (295.1572206)


   

Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6R,10bS)-

Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6R,10bS)-

C19H21NS (295.13946260000006)


   

(6S,10bR)-6-[4-(methylthio)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline

(6S,10bR)-6-[4-(methylthio)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline

C19H21NS (295.13946260000006)


D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists

   

Tyr-Gly-Gly zwitterion

Tyr-Gly-Gly zwitterion

C13H17N3O5 (295.1168152)


A tripeptide zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of Tyr-Gly-Gly. Major microspecies at pH 7.3.

   
   
   
   

N(6),N(6)-Dimethyladenosine

N(6),N(6)-Dimethyladenosine

C12H17N5O4 (295.1280482)


   
   

2'-O,4'-C-Methyleneguanosine

2'-O,4'-C-Methyleneguanosine

C11H13N5O5 (295.09166480000005)


2′-O,4′-C-Methyleneguanosine (LNA-G) is a reverse guanine analogue, where LNA (locked nucleic acid) is a nucleic acid analogue. LNA modification can be used in a variety of applications such as effective binding affinity to complementary sequences and greater nuclease resistance than natural nucleotides, offering great potential for applications in disease diagnosis and research. LNA-G is also available via KOD DNA polymerase, which allows the integration of LNA-G nucleotides into the DNA strand[1][2].

   

Dopamine D2 receptor agonist-3

Dopamine D2 receptor agonist-3

C15H22ClN3O (295.1451312)


Dopamine D2 receptor agonist-3 (compound 3) is a selective D2 receptor partial agonist and Dopamine D3 receptor antagonist (with pEC50 of 8.3 and <5.5 respectively)[1].

   

N6,2′-O-Dimethyladenosine

N6,2′-O-Dimethyladenosine

C12H17N5O4 (295.1280482)


N6,2′-O-Dimethyladenosine, a substrate of fat mass and obesity-associated gene (FTO), is a reversible modification widely occurred on varied RNA molecules. N6,2′-O-Dimethyladenosine can regulate obesity[1][2].

   

N6-Ethyladenosine

N6-Ethyladenosine

C12H17N5O4 (295.1280482)


N6-Ethyladenosine is an adenosine derivative, acts as a Adenosine receptor agonist, with Kis of 4.9 and 4.7 nM for hA1AR and hA3AR, respectively[1]. N6-Ethyladenosine is an adenosine derivative, acts as a Adenosine receptor agonist, with Kis of 4.9 and 4.7 nM for hA1AR and hA3AR, respectively[1].

   

2-phenyl-2-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}acetonitrile

2-phenyl-2-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}acetonitrile

C14H17NO6 (295.1055822)


   

(1r,6r,9s,10r,11r,12s)-6-[(1s)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.0¹,¹¹.0⁵,¹⁰]pentadecan-13-one

(1r,6r,9s,10r,11r,12s)-6-[(1s)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.0¹,¹¹.0⁵,¹⁰]pentadecan-13-one

C16H25NO4 (295.178349)


   

6-hydroxy-4-{3-[(3r,5s)-5-(hydroxymethyl)-3,5-dimethyloxolan-2-ylidene]-2-oxopropyl}-4,5-dihydro-3h-pyridin-2-one

6-hydroxy-4-{3-[(3r,5s)-5-(hydroxymethyl)-3,5-dimethyloxolan-2-ylidene]-2-oxopropyl}-4,5-dihydro-3h-pyridin-2-one

C15H21NO5 (295.1419656)


   

(11r,12r)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-11-ium-11-olate

(11r,12r)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-11-ium-11-olate

C18H17NO3 (295.1208372)


   

2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-8h-chromeno[7,6-b]pyrrole-6-carbaldehyde

2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-8h-chromeno[7,6-b]pyrrole-6-carbaldehyde

C19H21NO2 (295.1572206)


   

2-hydroxy-1-(2-hydroxy-3-methylbut-3-en-1-yl)-9h-carbazole-3-carbaldehyde

2-hydroxy-1-(2-hydroxy-3-methylbut-3-en-1-yl)-9h-carbazole-3-carbaldehyde

C18H17NO3 (295.1208372)


   

(1r,5r,6s,16r)-6-hydroxy-5,6-dimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione

(1r,5r,6s,16r)-6-hydroxy-5,6-dimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione

C15H21NO5 (295.1419656)


   

10-hydroxy-3,3-dimethyl-1h,2h,11h-pyrano[3,2-a]carbazole-5-carbaldehyde

10-hydroxy-3,3-dimethyl-1h,2h,11h-pyrano[3,2-a]carbazole-5-carbaldehyde

C18H17NO3 (295.1208372)


   

(1r,13r,14r,15z)-15-ethylidene-14-hydroxy-13-methyl-1λ⁵,11-diazapentacyclo[12.2.2.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-4(12),5,7,9-tetraen-1-ylium

(1r,13r,14r,15z)-15-ethylidene-14-hydroxy-13-methyl-1λ⁵,11-diazapentacyclo[12.2.2.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-4(12),5,7,9-tetraen-1-ylium

[C19H23N2O]+ (295.1810288)


   

5-{9h-pyrido[3,4-b]indol-1-yl}quinoline

5-{9h-pyrido[3,4-b]indol-1-yl}quinoline

C20H13N3 (295.11094180000003)


   

7-hydroxy-3-methyl-8-(3-methylbut-2-en-1-yl)-9h-carbazole-1,4-dione

7-hydroxy-3-methyl-8-(3-methylbut-2-en-1-yl)-9h-carbazole-1,4-dione

C18H17NO3 (295.1208372)


   

(2r)-2-phenyl-2-{[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}acetonitrile

(2r)-2-phenyl-2-{[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}acetonitrile

C14H17NO6 (295.1055822)


   

3-{9h-pyrido[3,4-b]indol-1-yl}isoquinoline

3-{9h-pyrido[3,4-b]indol-1-yl}isoquinoline

C20H13N3 (295.11094180000003)


   

6-hydroxy-4-{[5-(3-hydroxy-2-methylpropyl)-5-methyl-4-oxofuran-2-yl]methyl}-4,5-dihydro-3h-pyridin-2-one

6-hydroxy-4-{[5-(3-hydroxy-2-methylpropyl)-5-methyl-4-oxofuran-2-yl]methyl}-4,5-dihydro-3h-pyridin-2-one

C15H21NO5 (295.1419656)


   

(7-oxo-5,6-dihydropyrrolizin-1-yl)methyl 2,3-dihydroxy-2-isopropylbutanoate

(7-oxo-5,6-dihydropyrrolizin-1-yl)methyl 2,3-dihydroxy-2-isopropylbutanoate

C15H21NO5 (295.1419656)


   

2-[(3,4-dihydroxypyrrolidin-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[(3,4-dihydroxypyrrolidin-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C11H21NO8 (295.1267106)


   

(1r)-6-methoxy-9-oxa-2-azapentacyclo[13.3.1.0⁵,¹⁸.0⁸,¹⁷.0¹¹,¹⁶]nonadeca-5(18),6,8(17),11(16),12,14-hexaen-7-ol

(1r)-6-methoxy-9-oxa-2-azapentacyclo[13.3.1.0⁵,¹⁸.0⁸,¹⁷.0¹¹,¹⁶]nonadeca-5(18),6,8(17),11(16),12,14-hexaen-7-ol

C18H17NO3 (295.1208372)


   

(12r)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-17-ol

(12r)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-17-ol

C18H17NO3 (295.1208372)


   

(4r)-6-hydroxy-1',5-dimethyl-2,3-dihydro-1h-spiro[indene-4,3'-indole]-2',7-dione

(4r)-6-hydroxy-1',5-dimethyl-2,3-dihydro-1h-spiro[indene-4,3'-indole]-2',7-dione

C18H17NO3 (295.1208372)


   

2-methyl-1-[(3s)-3-methylpentyl]-9h-carbazole-3,4-dione

2-methyl-1-[(3s)-3-methylpentyl]-9h-carbazole-3,4-dione

C19H21NO2 (295.1572206)