Exact Mass: 359.1369
Exact Mass Matches: 359.1369
Found 500 metabolites which its exact mass value is equals to given mass value 359.1369,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Etoxazole
CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10356; ORIGINAL_PRECURSOR_SCAN_NO 10354 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10360; ORIGINAL_PRECURSOR_SCAN_NO 10358 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10425; ORIGINAL_PRECURSOR_SCAN_NO 10424 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10345; ORIGINAL_PRECURSOR_SCAN_NO 10344 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10415; ORIGINAL_PRECURSOR_SCAN_NO 10413 CONFIDENCE standard compound; INTERNAL_ID 1180; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10391; ORIGINAL_PRECURSOR_SCAN_NO 10390 D010575 - Pesticides > D056810 - Acaricides D016573 - Agrochemicals
Capecitabine
Capecitabine is an orally-administered chemotherapeutic agent used in the treatment of metastatic breast and colorectal cancers. Capecitabine is a prodrug, that is enzymatically converted to fluorouracil (antimetabolite) in the tumor, where it inhibits DNA synthesis and slows growth of tumor tissue. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite CONFIDENCE standard compound; EAWAG_UCHEM_ID 2845 D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Capecitabine is an oral proagent that is converted to its active metabolite, 5-FU, by thymidine phosphorylase.
Rabeprazole
Rabeprazole is a proton pump inhibitor sold (as its sodium salt) under the brand names Aciphex and Pariet (distributed by Janssen-Cilag); Rabeprazole is a proton pump inhibitor sold (as its sodium salt) and it is used in the treatment of gastric ulcers and GERD (or heartburn). It is taken once a day along with a full glass of water (preferable 30 min before breakfast). [HMDB] Rabeprazole is a proton pump inhibitor sold (as its sodium salt) under the brand names Aciphex and Pariet (distributed by Janssen-Cilag); Rabeprazole is a proton pump inhibitor sold (as its sodium salt) and it is used in the treatment of gastric ulcers and GERD (or heartburn). It is taken once a day along with a full glass of water (preferable 30 min before breakfast). A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors
SYNNEMATIN B
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Grepafloxacin
Grepafloxacin hydrochloride (Raxar®, Glaxo Wellcome) is an oral broad-spectrum quinoline antibacterial agent used to treat bacterial infections. Grepafloxacin was withdrawn in the United States due to its side effect of lengthening the QT interval on the electrocardiogram, leading to cardiac events and sudden death. [Wikipedia] J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors ATC code: J01MA11
Adicillin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Enrofloxacin
Enrofloxacin is a veterinary antibacterial agent, used in poultry. Enrofloxacin is a fluoroquinolone antibiotic sold by the Bayer Corporation under the trade name Baytril(r). Enrofloxacin is currently FDA-approved for treatment of individual pets and domestic animals in the United States. In September 2005, the FDA withdrew approval of Baytril for use in water to treat flocks of poultry, as this practice was noted to promote the evolution of fluoroquinolone-resistant strains of the bacterium Campylobacter, a human pathogen. Fluoroquinolones such as ciprofloxacin are widely used in the treatment of human disease. Enrofloxacin is a synthetic chemotherapeutic agent from the class of the fluoroquinolone carboxylic acid derivatives. It has antibacterial activity against a broad spectrum of Gram-negative and Gram-positive bacteria. Its mechanism of action is not thoroughly understood, but it is believed to act by inhibiting bacterial DNA gyrase (a type-II topoisomerase), thereby preventing DNA supercoiling and DNA synthesis. It is a bactericidal agent. The bactericidal activity of enrofloxacin is concentration dependent, with susceptible bacteria cell death occurring within 20-30 minutes of exposure. Enrofloxacin has demonstrated a significant post-antibiotic effect for both Gram-negative and Gram-positive bacteria and is active in both stationary and growth phases of bacterial replication. http://www.fda.gov/cvm/Documents/baytrilDDL.pdf is a broken lin D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Clovamide
(S,Z)-Clovamide is found in herbs and spices. (S,Z)-Clovamide is isolated from Trifolium pratense (red clover). A polyphenol compound found in foods of plant origin (PhenolExplorer)
Gravacridonechlorine
Gravacridonechlorine is found in herbs and spices. Gravacridonechlorine is an alkaloid from Ruta graveolens (rue
Romucosine B
Romucosine B is found in alcoholic beverages. Romucosine B is an alkaloid from Rollinia mucosa (biriba). Alkaloid from Rollinia mucosa (biriba). Romucosine B is found in alcoholic beverages and fruits.
N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid
Isogravacridonechlorine
Isogravacridonechlorine is found in herbs and spices. Isogravacridonechlorine is an alkaloid from Ruta graveolens (rue
Epinephrine glucuronide
Epinephrine glucuronide is a natural human metabolite of epinephrine generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Epinephrine glucuronide is a natural human metabolite of epinephrine generated in the liver by UDP glucuonyltransferase.
Avenanthramide 2s
Avenanthramide 2s is a polyphenol compound found in foods of plant origin (PMID: 20428313)
L-DOPA 3'-glucoside
L-DOPA 3-glucoside is found in pulses. L-DOPA 3-glucoside is isolated from Pisum sativum (peas) and Vicia fab Isolated from Pisum sativum (peas) and Vicia faba. L-DOPA 3-glucoside is found in pulses and common pea.
Avenanthramide 2
Avenanthramide 2 is found in cereals and cereal products. Avenanthramide 2 is a constituent of Avena sativa (oat). Constituent of Avena sativa (oat). Avenanthramide 2 is found in oat and cereals and cereal products.
N-Desmethyl-O-hydroxy rosiglitazone
N-Desmethyl-O-hydroxy rosiglitazone is a metabolite of rosiglitazone. Rosiglitazone is an antidiabetic drug in the thiazolidinedione class of drugs. It works as an insulin sensitizer, by binding to the PPAR receptors in fat cells and making the cells more responsive to insulin. It is marketed by the pharmaceutical company GlaxoSmithKline (GSK) as a stand-alone drug (Avandia) and in combination with metformin (Avandamet) or with glimepiride (Avandaryl). Annual sales peaked at approximately $2.5bn in 2006, but declined after reports of adverse effects. (Wikipedia)
N-Desmethyl-p-hydroxyrosiglitazone
N-Desmethyl-p-hydroxyrosiglitazone is a metabolite of rosiglitazone. Rosiglitazone is an antidiabetic drug in the thiazolidinedione class of drugs. It works as an insulin sensitizer, by binding to the PPAR receptors in fat cells and making the cells more responsive to insulin. It is marketed by the pharmaceutical company GlaxoSmithKline (GSK) as a stand-alone drug (Avandia) and in combination with metformin (Avandamet) or with glimepiride (Avandaryl). Annual sales peaked at approximately $2.5bn in 2006, but declined after reports of adverse effects. (Wikipedia)
(1-(5-Fluoropentyl)-1H-indol-3-yl)(naphthalen-1-yl)methanone
2-[(3,17-Dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene)amino]oxyacetic acid
Binfloxacin
C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
(S)-2-Biphenyl-4-yl-1-(1H-tetrazol-5-yl)ethylaminomethyl phosphonic acid
Chlorambucil-tertiary butyl ester
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds
Clethodim
Isopenicillin N
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid
2-amino-4,6-dinitrotoluene glucoside
2-amino-4,6-dinitrotoluene glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-amino-4,6-dinitrotoluene glucoside can be found in a number of food items such as abalone, common verbena, durian, and burbot, which makes 2-amino-4,6-dinitrotoluene glucoside a potential biomarker for the consumption of these food products.
4-amino-2,6-dinitrotoluene glucoside
4-amino-2,6-dinitrotoluene glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 4-amino-2,6-dinitrotoluene glucoside can be found in a number of food items such as yellow zucchini, garden onion (variety), jerusalem artichoke, and mung bean, which makes 4-amino-2,6-dinitrotoluene glucoside a potential biomarker for the consumption of these food products.
N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
6-Aethansulfinyl-3-methoxy-17-methyl-morphina-5,7-dien-4-ol|6-ethanesulfinyl-3-methoxy-17-methyl-morphina-5,7-dien-4-ol
2-Butyl-5-methoxy-7-phenyl-1H-benzo[de]isoquinoline-1,6(2H)-dione
2,3-dimethoxy-14-methylindolo[2,3:3,4]pyrido[2,1-b]quinazolin-5(14h)-one
3-O-acetylungiminorine|3-O-Acetylungminorine|ungiminorine acetate
(+)-(5R,6R)-5-carbamoyl-6,5-(2,1-O-beta-D-glucopyranosyloxy)-4-methoxy-1-methyl-5,6-dihydro-2-pyridone|epiacalyphin amide cycloside
4,6,7-Trimethoxy-5-(2-hydroperoxy-3-methyl-3-butenyl)furo[2,3-b]quinoline
(E)-1,1-dimethyl-3-(4,6,7-trimethoxyfuro[2,3-b]quinolin-5-yl)-2-propenyl hydroperoxide
4-hydroxy-3,7,8-trimethoxy-17-methyl-7,8-didehydrohasubanan-6-one
N-(3,4-Dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide
Clovamide
Trans-Clovamide is a tyrosine derivative. trans-Clovamide is a natural product found in Dalbergia melanoxylon, Theobroma cacao, and Trifolium pratense with data available. See also: Cocoa (part of); Trifolium pratense flower (part of). cis-Clovamide is a natural product found in Theobroma cacao and Trifolium pratense with data available. See also: Cocoa (part of); Trifolium pratense flower (part of). Clovamide (trans-Clovamide), a natural phenolic compound, is a potent antioxidant. Clovamide is an excellent ROS and oxygen radical scavenger. Clovamide also has anti-inflammatory and neuroprotective effects[1][2]. Clovamide is an anti-microbial with activity against the human pathogens influenza A subtype H5N1, Trypanosoma evansi, and Heliobacter pylori[3].
Demethyleneberberine
Demethyleneberberine chloride is a natural mitochondria-targeted antioxidant. Demethyleneberberine chloride alleviates mice colitis and inhibits the inflammatory responses by inhibiting NF-κB pathway and regulating the balance of Th cells. Demethyleneberberine chloride could serve as a AMPK activator for researching non-alcoholic fatty liver disease (NAFLD)[1][2][3]. Demethyleneberberine chloride is a natural mitochondria-targeted antioxidant. Demethyleneberberine chloride alleviates mice colitis and inhibits the inflammatory responses by inhibiting NF-κB pathway and regulating the balance of Th cells. Demethyleneberberine chloride could serve as a AMPK activator for researching non-alcoholic fatty liver disease (NAFLD)[1][2][3].
Stylopine hydrochloride
(±)-Stylopine (Tetrahydrocoptisine) hydrochloride is an alkaloid compound originally isolated from Corydalis tubers that exhibits anti-inflammatory and anti-parasitic activities[1][2]. (±)-Stylopine (Tetrahydrocoptisine) hydrochloride is an alkaloid compound originally isolated from Corydalis tubers that exhibits anti-inflammatory and anti-parasitic activities[1][2].
Enrofloxacin
A quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid substituted by an oxo group at position 4, a fluoro group at position 6, a cyclopropyl group at position 1 and a 4-ethylpiperazin-1-yl group at position 7. It is a veterinary antibacterial agent used for the treatment of pets. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; INTERNAL_ID 1029 CONFIDENCE standard compound; INTERNAL_ID 4096 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3667
Capecitabine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 2353 INTERNAL_ID 2353; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 2140 CONFIDENCE standard compound; INTERNAL_ID 8343 CONFIDENCE standard compound; INTERNAL_ID 4129 Capecitabine is an oral proagent that is converted to its active metabolite, 5-FU, by thymidine phosphorylase.
(2S)-3-(3,4-dihydroxyphenyl)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propanoic acid
(-)-n-[3,4-dihydroxy-(e)-cinnamoyl]-3-hydroxy-l-tyrosine
Clovamide (trans-Clovamide), a natural phenolic compound, is a potent antioxidant. Clovamide is an excellent ROS and oxygen radical scavenger. Clovamide also has anti-inflammatory and neuroprotective effects[1][2]. Clovamide is an anti-microbial with activity against the human pathogens influenza A subtype H5N1, Trypanosoma evansi, and Heliobacter pylori[3].
rabeprazole
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate
http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 16
Etoxazole
D010575 - Pesticides > D056810 - Acaricides D016573 - Agrochemicals
Ala Ala Ala Gln
Ala Ala Gln Ala
Ala Gly Asn Val
Ala Gly Val Asn
Ala Asn Gly Val
Ala Asn Val Gly
Ala Gln Ala Ala
Ala Val Gly Asn
Ala Val Asn Gly
Gly Ala Asn Val
Gly Ala Val Asn
Gly Gly Ile Asn
Gly Gly Leu Asn
Gly Gly Asn Ile
Gly Gly Asn Leu
Gly Gly Gln Val
Gly Gly Val Gln
Gly Ile Gly Asn
Gly Ile Asn Gly
Gly Leu Gly Asn
Gly Leu Asn Gly
Gly Asn Ala Val
Gly Asn Gly Ile
Gly Asn Gly Leu
Gly Asn Ile Gly
Gly Asn Leu Gly
Gly Asn Val Ala
Gly Gln Gly Val
Gly Gln Val Gly
Gly Val Ala Asn
Gly Val Gly Gln
Gly Val Asn Ala
Gly Val Gln Gly
Ile Gly Gly Asn
Ile Gly Asn Gly
Ile Asn Gly Gly
Leu Gly Gly Asn
Leu Gly Asn Gly
Leu Asn Gly Gly
Asn Ala Gly Val
Asn Ala Val Gly
Asn Gly Ala Val
Asn Gly Gly Ile
Asn Gly Gly Leu
Asn Gly Ile Gly
Asn Gly Leu Gly
Asn Gly Val Ala
Asn Ile Gly Gly
Asn Leu Gly Gly
Asn Val Ala Gly
Asn Val Gly Ala
Gln Ala Ala Ala
Gln Gly Gly Val
Gln Gly Val Gly
Gln Val Gly Gly
Val Ala Gly Asn
Val Ala Asn Gly
Val Gly Ala Asn
Val Gly Gly Gln
Val Gly Asn Ala
Val Gly Gln Gly
Val Asn Ala Gly
Val Asn Gly Ala
Val Gln Gly Gly
Epinephrine glucuronide
L-DOPA 3'-glucoside
Enroxil
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Isogravacridonchlorine
Gravacridonechlorine
Avenanthramide 2
Romucosine B
4-Piperidinecarboxylicacid, 1-[(4-methylphenyl)sulfonyl]-4-phenyl-
3-(BENZO[D][1,3]DIOXOL-5-YL)-2-(((BENZYLOXY)CARBONYL)AMINO)-3-HYDROXYPROPANOIC ACID
(S)-1,2,3,4-tetrahydro-1-phenylisoquinoline D-(-)-tartrate
2-BOC-5-(2-ISOPROPYLAMINO-THIAZOL-4-YL)-ISOINDOLINE
N-BOC-BELTA-ALANINE-BELTA-4-TRIFLUOROMETHYLPHENYL-N-CARBOXYANHYDRIDE
5-Deoxy-5-fluoro-N-[(2-methylbutoxy)carbonyl]cytidine
TRANS-1-(TERT-BUTOXYCARBONYL)-4-(3-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
Urea, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-N-(phenylmethyl)- (9CI)
Urea, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-N-(4-methylphenyl)- (9CI)
Urea, N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]-N-(2-methylphenyl)- (9CI)
Urea, N-[2-[(3-cyano-6-methyl-2-quinolinyl)amino]ethyl]-N-(phenylmethyl)- (9CI)
4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]cyclopentane-1,2-diol
6-amino-4-(2-chlorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonitrile
p-[(2-hydroxy-1-naphthyl)azo]benzenesulphonic acid, compound with methylamine (1:1)
2-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-6-((TRIMETHYLSILYL)ETHYNYL)FURO[3,2-B]PYRIDINE
6-Fluoro-1-(phenylsulfonyl)-2-[(2R)-2-pyrrolidinylmethyl]-1H-pyrr olo[2,3-b]pyridine
6-Fluoro-1-(phenylsulfonyl)-2-[(2S)-2-pyrrolidinylmethyl]-1H-pyrr olo[2,3-b]pyridine
(S)-N,N-DIMETHYLDINAPHTHO[2,1-D:1,2-F][1,3,2]DIOXAPHOSPHEPIN-4-AMINE
1-phenyl-N-[2-(9H-thioxanthen-9-yl)ethyl]propan-2-amine
(4-(N-(2-((TERT-BUTYLDIMETHYLSILYL)OXY)ETHYL)SULFAMOYL)PHENYL)BORONIC ACID
(5R)-5-[(1S)-1,2-Dihydroxyethyl]-3,4-dihydroxy-2(5H)-furanone - 1 ,1-diphenylmethanamine (1:1) (non-preferred name)
Piperidolate hydrochloride
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent Piperidolate hydrochloride is an antimuscarinic, inhibits intestinal cramp induced by acetylcholine (rats and dogs).
ETHYL 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-(PIPERAZIN-1-YL)-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE
7-(3-Aminoazepan-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
METHYL 4-[3,5-BIS(METHOXYCARBONYL)PHENOXY]-3-AMINOBENZOATE
captodiame
N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BB - Diphenylmethane derivatives C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
(R)-(-)-[4-N,N-Dimethylamino]dinaphtho[2,1-d:1,2-f][1,3,2]dioxaphosphepin
BENZENEACETAMIDE,N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-3,4-DIMETHOXY-, ION(1-) (9CI)
3-(4-BOC-PIPERAZIN-1-YL-METHYL)-5-TRIFLUOROMETHYLANILINE
2,6-difluoro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide
Benzyloxycarbonylamino-(diethoxy-phosphoryl)-acetic acid methyl ester
Oxodipine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
SGX-523
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164000 - c-Met-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
2-[[4-[(2,4-dinitrophenyl)azo]phenyl]ethylamino]ethanol
6-amino-4-(4-chlorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonitrile
6,7-Didehydro-8β,10β-epoxy-3,4,7-trimethoxy-17-methylhasubanan-8-ol
6-ACETYL-5-(4-CHLOROPHENYL)-1,3,7-TRIMETHYL-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE
2,4-Diphenyl-6-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-[1,3,5]triazine
(4-BENZYLPIPERAZIN-1-YL)PIPERIDIN-4-YL-METHANONE DIHYDROCHLORIDE
3-(4-CHLORO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
5,6-Dichloro-1,3-diethyl-2-(2-phenylimino ethylidene) benzimidazoline
Dimefline Hydrochloride
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
tert-Butyl 4-((3-(trifluoromethyl)phenoxy)methyl)piperidine-1-carboxylate
5-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine
5′-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine is an impurity in the synthesis of Capecitabine (HY-B0016)[1].
methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-2-phenylpyrimidin-1-yl]acetate
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
1H-Indazole-1-acetamide,N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)-(9CI)
4-(4-BOC-PIPERAZIN-1-YL-METHYL)-2-TRIFLUOROMETHYLANILINE
Dexrabeprazole
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors
N-((2S,3R)-3-Amino-2-hydroxy-5-(isopropylsulfanyl)pentanoyl)-N-3-chlorobenzoyl hydrazide
2-({2-[(3r)-3-Aminopiperidin-1-Yl]-4-Oxoquinazolin-3(4h)-Yl}methyl)benzonitrile
[[2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methylphosphonic acid
Estradiol-6-cmo
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3-[(3-Chlorophenoxy)methyl]-1-(Tetrahydro-2h-Pyran-4-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
N-(1,3-benzodioxol-5-yl)-2-chloro-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
Isopropyl 2-[4-(3-chlorophenyl)piperazino]nicotinate
4-(benzenesulfonyl)-N-methyl-N-phenyl-1-piperazinecarboxamide
4-[4-(4-methoxyphenyl)piperazino]-5H-pyrimido[5,4-b]indole
2-(4-methylphenoxy)-N-[4-(2-oxazolo[4,5-b]pyridinyl)phenyl]acetamide
1-(3-Chlorophenyl)-3-[4-[4-morpholinyl(oxo)methyl]phenyl]urea
2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
2-[[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]thio]-1-(1-pyrrolidinyl)ethanone
3-[(3-Chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
N-(3-((4-Hydroxyphenyl)amino)-3-oxo-1-(pyridin-4-yl)prop-1-en-2-yl)benzamide
[1-acetyl-3,6-bis(tert-butylsulfanyl)-3,6-dihydro-2H-pyridin-2-yl] acetate
9-Butyl-8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine
4-{4-[4-(3-Aminopropoxy)phenyl]-1H-pyrazol-5-YL}-6-chlorobenzene-1,3-diol
Binfloxacin
C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
5-Chloro-6-[(2,5-dimethoxyanilino)methyl]quinazoline-2,4-diamine
3-(4-Methoxyphenyl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine
2-(Hydroxymethyl)-6-(4-methyl-3,5-dinitroanilino)oxane-3,4,5-triol
7-Deoxyloganate
A monocarboxylic acid anion that is the conjugate base of 7-deoxyloganic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid
3-ethyl-2-[5-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzoxazol-3-ium
D004396 - Coloring Agents > D002232 - Carbocyanines
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide
N-{3-nitrobenzylidene}naphtho[2,1-b]furan-2-carbohydrazide
N-(4-acetamidophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetamide
6-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinamine
6-(1,3-benzodioxol-5-yl)-N-[2-(2-furanyl)ethyl]-4-quinazolinamine
6-(1,3-benzodioxol-5-yl)-N-[(2-methyl-3-furanyl)methyl]-4-quinazolinamine
1-(2-Fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine
1-[[2-(2,4-Difluorophenoxy)-1-oxopropyl]amino]-3-(2-oxolanylmethyl)thiourea
1-[4-[4-(2-Methylpropoxy)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiazolyl]-4-piperidinecarboxamide
5-[1-[(3,5-Dimethoxyphenyl)methylamino]ethylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
N-[2-[(2-methylphenyl)methylthio]ethyl]-3-[(4-methylphenyl)thio]propanamide
1-(4-Chlorophenyl)-3-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]urea
(3aS)-2-benzyl-10,10-dimethyl-4,9-dihydro-3aH-imidazo[1,5-b]-carboline-1,3-quinone
N-hydroxy-N-[(E)-(4-thiophen-2-ylphenyl)methylideneamino]heptanediamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)thio]propanamide
4-methoxy-N-{[2-(phenoxyacetyl)hydrazino]carbothioyl}benzamide
N-[2-(4-Methoxy-phenyl)-6-methyl-2H-benzotriazol-5-yl]-nicotinamide
[3-[(2-Chlorophenoxy)methyl]phenyl]-(2,6-dimethyl-4-morpholinyl)methanone
4-[[4-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester
N-[2-(2-imidazo[1,2-a]pyridinyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
N-[4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide
N,N-bis(but-2-ynyl)-3-methoxy-4-(1-tetrazolyl)benzenesulfonamide
N-[2-methyl-5-(2-oxazolo[4,5-b]pyridinyl)phenyl]-2-phenoxyacetamide
[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-(2-ethoxy-3-pyridinyl)methanone
N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-4-thiadiazolecarboxamide
N-cyclohexyl-2-[(6-hydroxy-4-oxo-1-phenyl-2-pyrimidinyl)thio]acetamide
6-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine
2-Chloro-5-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid
(15R)-13-Benzyl-10,10-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclopentanamine
(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
(2S,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
(2R,3R,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
(1S,5R)-7-[4-(2-fluorophenyl)phenyl]-3-(2-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane
(2S,3S,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
(1S,5R)-7-[4-(3-fluorophenyl)phenyl]-6-(2-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane
N(2)-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]-N-butyl-L-cysteinamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)propanamide
Isopenicillin N
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
1-(4-Fluorophenyl)-4-oxo-7-(4-pyridyl)quinoline-3-carboxamide
Grepafloxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors ATC code: J01MA11
[1-(5-Fluoropentyl)-1H-indol-3-yl](naphthalen-1-yl)methanone
AVN-492
AVN-492 is a very specific and highly-selective antagonist with picomolar affinity to 5-HT6R (Ki=91 pM).
Chromeceptin
Chromeceptin (94G6) is an IGF signaling pathway inhibitor. Chromeceptin suppresses IGF2 expression at mRNA and protein levels in hepatocyte and HCC cells. Chromeceptin inhibits the phosphorylation levels of AKT and mTOR[1].
Lusaperidone
Lusaperidone (R107474) is an α2 adrenergic receptor antagonist with Kis of 0.13 and 0.15 nM for α2A and α2C, respectively.
4,8-dimethoxy-8-(3-methylbut-2-en-1-yl)-5h,6h,7h-furo[2,3-b]quinolin-7-yl acetate
(1s,16r,17s,18s,19s)-16-hydroxy-17-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,14-tetraen-18-yl acetate
(12as,12bs)-2,3-dimethoxy-12a-(methoxycarbonyl)-5h,6h,8h,10h,11h,12h,12bh-isoindolo[1,2-a]isoquinolin-7-ium-7-olate
(1r,9s,10r)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(1s,10s)-4-hydroxy-3,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
5,7,8,11-tetramethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-3-ium-3-olate
(1s,9r,10r)-3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
19-[(1r)-1-ethoxyethyl]-3,13,17-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
(1s,12s,14r)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl 3-hydroxybutanoate
3-[(3s,6s,11ar)-1,4-dihydroxy-3-[2-(methylsulfanyl)ethyl]-7-oxo-1h,2h,3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-6-yl]propanoic acid
(2e)-n-[(2r)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid
(2s,5r)-4-hydroxy-5-(1h-indol-3-yl)-1h,2h,5h,6h-azepino[4,5-b]indole-2-carboxylic acid
10-hydroxy-3-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxa-1-azatricyclo[5.2.1.0⁴,¹⁰]decane-2,6-dione
(1r,9r,10s)-3,6-dihydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraene-8,13-dione
4-hydroxy-3,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
8α-ethoxyprecriwelline
{"Ingredient_id": "HBIN013626","Ingredient_name": "8\u03b1-ethoxyprecriwelline","Alias": "NA","Ingredient_formula": "C20H25NO5","Ingredient_Smile": "CCOC1C2=CC3=C(C=C2C45C=CC(CC4N(CC5O1)C)OC)OCO3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7413","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acetonylevodiamine
{"Ingredient_id": "HBIN014422","Ingredient_name": "acetonylevodiamine","Alias": "NA","Ingredient_formula": "C22H21N3O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14113","TCMID_id": "114","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
