Exact Mass: 361.092573
Exact Mass Matches: 361.092573
Found 282 metabolites which its exact mass value is equals to given mass value 361.092573,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fenoxaprop-ethyl
C18H16ClNO5 (361.07169560000006)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Glucoputranjivin
An alkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a 2-methyl-N-(sulfooxy)propanimidoyl group at the anomeric sulfur.
Pyriminobac-methyl
Pyriminobac-methyl is a herbicide used on rice. Herbicide used on rice
bisacodyl
A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AB - Contact laxatives A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AG - Enemas C78276 - Agent Affecting Digestive System or Metabolism > C29697 - Laxative D005765 - Gastrointestinal Agents > D002400 - Cathartics D005765 - Gastrointestinal Agents > D054368 - Laxatives Bisacodyl is a stimulant laxative agent that works directly on the colon to produce a bowel movement. Bisacodyl increases the secretion of PGE2 by direct activation of colon macrophages. PGE2 acts as a paracrine factor and decreases the expression of AQP3 in the colon, which inhibits water transfer from the luminal to the vascular side and leads to a laxative effect[1].
5-Hydroxyomeprazole
C17H19N3O4S (361.10962140000004)
5-Hydroxyomeprazole is only found in individuals that have used or taken Omeprazole. 5-Hydroxyomeprazole is a metabolite of Omeprazole. 5-hydroxyomeprazole belongs to the family of Sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
Omeprazole sulfone
C17H19N3O4S (361.10962140000004)
Omeprazole sulfone is only found in individuals that have used or taken Omeprazole. Omeprazole sulfone is a metabolite of Omeprazole. Omeprazole sulfone belongs to the family of Sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
Bezafibrate
C19H20ClNO4 (361.1080790000001)
Bezafibrate is only found in individuals that have used or taken this drug. It is an antilipemic agent that lowers cholesterol and triglycerides. It decreases low density lipoproteins and increases high density lipoproteins. [PubChem]Like the other fibrates, bezafibrate is an agonist of PPARα; some studies suggest it may have some activity on PPARγ and PPARδ as well. C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AB - Fibrates D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites Bezafibrate is an agonist of PPAR, with EC50s of 50 μM, 60 μM, 20 μM for human PPARα, PPARγ and PPARδ, and 90 μM, 55 μM, 110 μM for murine PPARα, PPARγ and PPARδ, respectively; Bezafibrate is used as an hypolipidemic agent.
De-O-methylsimmondsin
De-O-methylsimmondsin is found in coffee and coffee products. De-O-methylsimmondsin is a constituent of jojoba meal. Constituent of jojoba meal. Demethylsimmondsin is found in coffee and coffee products, fats and oils, and nuts.
3-Hydroxyomeprazole
C17H19N3O4S (361.10962140000004)
3-Hydroxyomeprazole is only found in individuals that have used or taken Omeprazole. 3-Hydroxyomeprazole is a metabolite of Omeprazole. 3-hydroxyomeprazole belongs to the family of Sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
Avenanthramide A2
Avenanthramide A2 is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Aminomethyl fluorescein
C21H15NO5 (361.09501800000004)
Benoxathian
C19H23NO4S (361.13477180000007)
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
Bisacodyl
A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AB - Contact laxatives A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AG - Enemas C78276 - Agent Affecting Digestive System or Metabolism > C29697 - Laxative D005765 - Gastrointestinal Agents > D002400 - Cathartics D005765 - Gastrointestinal Agents > D054368 - Laxatives Bisacodyl is a stimulant laxative agent that works directly on the colon to produce a bowel movement. Bisacodyl increases the secretion of PGE2 by direct activation of colon macrophages. PGE2 acts as a paracrine factor and decreases the expression of AQP3 in the colon, which inhibits water transfer from the luminal to the vascular side and leads to a laxative effect[1].
Ethyl 6-(N-(2-chloro-4-fluorophenyl)sulfamoyl)cyclohex-1-enecarboxylate
C15H17ClFNO4S (361.05508040000007)
Fostedil
C18H20NO3PS (361.09014600000006)
metampicillin
C17H19N3O4S (361.10962140000004)
Nitroflurbiprofen
C19H20FNO5 (361.13254420000004)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
Ptemc
C19H23NO4S (361.13477180000007)
5-Methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazol-4-ol
C17H19N3O4S (361.10962140000004)
SPARSOMYCIN
Pyriminobac-methyl, (Z)-
1-[(4-Aminophenyl)methyl]-3-(3-nitrophenyl)imidazo[4,5-b]pyridin-2-one
SAR102608
CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4212; ORIGINAL_PRECURSOR_SCAN_NO 4209 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4285; ORIGINAL_PRECURSOR_SCAN_NO 4280 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4295; ORIGINAL_PRECURSOR_SCAN_NO 4294 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4294; ORIGINAL_PRECURSOR_SCAN_NO 4293 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4304; ORIGINAL_PRECURSOR_SCAN_NO 4303 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4291; ORIGINAL_PRECURSOR_SCAN_NO 4288 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8805; ORIGINAL_PRECURSOR_SCAN_NO 8804 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8813; ORIGINAL_PRECURSOR_SCAN_NO 8811 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8820; ORIGINAL_PRECURSOR_SCAN_NO 8818 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8838; ORIGINAL_PRECURSOR_SCAN_NO 8833 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8848; ORIGINAL_PRECURSOR_SCAN_NO 8844 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8849; ORIGINAL_PRECURSOR_SCAN_NO 8848
4-Amino-2-{[5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-pyrimidinecarbonitrile
N-(1,3-benzodioxol-5-ylmethyl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
methyl 2-((2-phenylimidazo[1,2-a]pyrimidin-3-yl)thio)benzoate
2-acetoxy-1-methoxy-[1,3]dioxolo[4,5:4,5]benzo[1,2-c]phenanthridine|decarine acetate|O-acetyl-decarine|O-Acetyldecarin
C21H15NO5 (361.09501800000004)
N6-methyl-[3]adenylic acid|N6-Methyl-[3]adenylsaeure|N6-Methyladenosin-3-phosphat|N6-Methyladenylsaeure
6-(3-(1H-pyrrole-2-carbonyloxy)-2-hydroxypropoxy)-3,4,5-trihydroxy-tetrahydro-2H-pyrane-2-carboxylic acid
2-(1-carboxyethyl)-5-hydroxy-7-phenyl-2H-benzo[de]isoquinoline-1,6-dione
C21H15NO5 (361.09501800000004)
2-Butyl-5-hydroxy-7-(4-hydroxyphenyl)-6H-benzo[de]isoquinoline-1,6(2H)-dione
Me glycoside,N,2,4,6-tetra-Ac-alpha-D-Pyranose-3-Amino-3-deoxyglucose|Me glycoside,N,2,4,6-tetra-Ac-beta-D-Pyranose-3-Amino-3-deoxyglucose
3-deoxy-D-manno-2-octulopyranosonate 7-(2-aminoethyl phosphate)
N6-Methyl-2adenylsaeure|N6-methyl-[2]adenylic acid|N6-Methyl-[2]adenylsaeure
Me glycoside,2,3-dimesyl,N-Ac-4-Amino-4-deoxyarabinose
2-Dimethylamino-4-oxo-6-(L-threo-1,2,3-trihydroxypropyl)-3,4-dihydropteridin-3-monophosphat
Micinovo; Pravacilin; Rastomycin K; Ruticina
C17H19N3O4S (361.10962140000004)
bezafibrate
C19H20ClNO4 (361.1080790000001)
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AB - Fibrates D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4657; ORIGINAL_PRECURSOR_SCAN_NO 4655 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4682; ORIGINAL_PRECURSOR_SCAN_NO 4681 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4636; ORIGINAL_PRECURSOR_SCAN_NO 4635 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4660; ORIGINAL_PRECURSOR_SCAN_NO 4659 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4651; ORIGINAL_PRECURSOR_SCAN_NO 4650 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8993; ORIGINAL_PRECURSOR_SCAN_NO 8991 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9030; ORIGINAL_PRECURSOR_SCAN_NO 9028 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9048; ORIGINAL_PRECURSOR_SCAN_NO 9046 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9079; ORIGINAL_PRECURSOR_SCAN_NO 9078 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9087; ORIGINAL_PRECURSOR_SCAN_NO 9085 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9094; ORIGINAL_PRECURSOR_SCAN_NO 9093 CONFIDENCE standard compound; INTERNAL_ID 2341 CONFIDENCE standard compound; INTERNAL_ID 8548 CONFIDENCE standard compound; INTERNAL_ID 4069 CONFIDENCE standard compound; EAWAG_UCHEM_ID 209 Bezafibrate is an agonist of PPAR, with EC50s of 50 μM, 60 μM, 20 μM for human PPARα, PPARγ and PPARδ, and 90 μM, 55 μM, 110 μM for murine PPARα, PPARγ and PPARδ, respectively; Bezafibrate is used as an hypolipidemic agent.
N4-Anisoyl-2-deoxycytidine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.797 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.800 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.794
Varenicline Tartrate
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D000077444 - Smoking Cessation Agents Varenicline (CP 526555) is an orally active partial agonist of α4β2 nicotinic acetylcholine receptor (α4β2 nAChR, IC50 = 250 nM), which is the principal mediator of nicotine dependence. Varenicline is also a partial agonist of α6β2 nAChR and a full agonist of α6β2 nAChR. Varenicline blocks the direct agonist effects of nicotine on nAChR while stimulates nAChR in a more moderate way, being widely used as an aid of smoking cessation[1][2][3][4][5]. Varenicline (CP 526555) is an orally active partial agonist of α4β2 nicotinic acetylcholine receptor (α4β2 nAChR, IC50 = 250 nM), which is the principal mediator of nicotine dependence. Varenicline is also a partial agonist of α6β2 nAChR and a full agonist of α6β2 nAChR. Varenicline blocks the direct agonist effects of nicotine on nAChR while stimulates nAChR in a more moderate way, being widely used as an aid of smoking cessation[1][2][3][4][5].
Anabasamine
C16H22Cl3N3 (361.08792220000004)
Origin: Plant; SubCategory_DNP: Alkaloids derived from lysine, Quinolizidine alkaloids
Asp Gly Gly Asn
Asp Gly Asn Gly
Asp Asn Gly Gly
Gly Asp Gly Asn
Gly Asp Asn Gly
Gly Gly Asp Asn
Gly Gly Asn Asp
Gly Asn Asp Gly
Gly Asn Gly Asp
Asn Asp Gly Gly
Asn Gly Asp Gly
Asn Gly Gly Asp
metampicillin
C17H19N3O4S (361.10962140000004)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum A penicillin compound having a 6beta-(2R)-2-(methylideneamino)-2-phenylacetamido side-group. 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 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-Hydroxyomeprazole
C17H19N3O4S (361.10962140000004)
Avenanthramide A2
De-O-methylsimmondsin
Fostedil
C18H20NO3PS (361.09014600000006)
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
(2E)-2-[3-chloro-6-(4-methylpiperazin-1-yl)dibenzo[1,2-[7]annulen-11-ylidene]acetonitrile
C22H20ClN3 (361.13456700000006)
Fmoc-(S)-2-Amino-4,4-difluorobutyric acid
C19H17F2NO4 (361.11255860000006)
benzyl 3-(3-aminoazetidin-1-yl)piperidine-1-carboxylate,dihydrochloride
C16H25Cl2N3O2 (361.13237300000003)
3-(3-AMINOMETHYL-AZETIDIN-1-YL)-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER-2HCl
C16H25Cl2N3O2 (361.13237300000003)
ETHYL 2-(CHLOROMETHYL)-4-PHENYLQUINOLINE-3-CARBOXYLATE HYDROCHLORIDE
C19H17Cl2NO2 (361.06362820000004)
(1-CBZ-PIPERIDIN-4-YL-AZETIDIN-3-YL)-AMINE-2HCl
C16H25Cl2N3O2 (361.13237300000003)
rel-(1R,3S,5S)-8-Methyl-8-azabicyclo[3,2,1]oct-6-en-yl-2-hydroxy-2,2-dithiophen-2-yl acetate
C18H19NO3S2 (361.08063039999996)
4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl acetate
N4-Bz-2-OMe-rC
N4-Benzoyl-2’-O-methylcytidine is a cytidine analog. Cytidine analogs have a mechanism of inhibiting DNA methyltransferases (such as Zebularine, HY-13420), and have potential anti-metabolic and anti-tumor activities[1].
4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate
Clemizole hydrochloride
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Clemizole hydrochloride is an H1 histamine receptor antagonist, is found to substantially inhibit HCV replication. Clemizole hydrochloride is an inhibitor of TRPC5 channel. The IC50 of Clemizole hydrochloride for RNA binding by NS4B is 24 nM, whereas its EC50 for viral replication is 8 μM.
(S)-4-(1-HYDROXY-2-(ISOPROPYLAMINO)ETHYL)BENZENE-1,2-DIOL (2R,3R)-2,3-DIHYDROXYSUCCINATE
(S)-ALLYL 2-AMINO-4-(METHYLTHIO)BUTANOATE 4-METHYLBENZENESULFONATE
C15H23NO5S2 (361.10175879999997)
5-(AMINOMETHYL)-3,6-DIHYDROXY-3H-SPIRO[ISOBENZOFURAN-1,9-XANTHEN]-3-ONE HYDROCHLORIDE
C21H15NO5 (361.09501800000004)
ethyl 2,3-dihydro-2-(3-hydroxy-2-quinolyl)-1,3-dioxo-1H-indene-5-carboxylate
C21H15NO5 (361.09501800000004)
Midazolam hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics 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
[4-[cyclopropyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]boronic acid
C17H20BNO5S (361.11551800000007)
3-[Cyclopropyl(4-methoxybenzyl)sulfamoyl]benzeneboronic acid
C17H20BNO5S (361.11551800000007)
Sparsomysin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000970 - Antineoplastic Agents
4,4-diphenylbutan-2-yl-ethyl-dimethylazanium,bromide
C20H28BrN (361.14049880000005)
[5-[7-(3-Chloropropoxy)quinazolin-4-ylamino]pyrazol-3-yl]acetic acid
6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinolin-4-one
C18H19NO5S (361.09838840000003)
(E)-8-Hydroxy-2-[2-(3,4,5-trihydroxyphenyl)ethenyl]-7-quinolinecarboxylic acid sodium salt
[4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] acetate
C19H17F2NO4 (361.11255860000006)
1-(4-METHOXY-BENZYL)-1H-BENZOIMIDAZOL-5-YLAMINE TRIHYDROCHLORIDE
2-(4-FORMYL-2-METHOXYPHENOXY)ACETIC ACID, N-(2-BIPHENYLYL)AMIDE
2-ETHOXY-5-[(4-METHYL-PIPERAZINE-1-CARBONYL)-AMINO]-BENZENESULFONYL CHLORIDE
C14H20ClN3O4S (361.08629900000005)
FENOXAPROP-ETHYL
C18H16ClNO5 (361.07169560000006)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
1-Cyclohexene-1-carboxylic acid, 6-[[(2-chloro-4-fluorophenyl)amino]sulfonyl]-, ethyl ester, (6S)-
C15H17ClFNO4S (361.05508040000007)
ethyl 2-(2-(2-(4-chlorophenoxy)phenyl)-N-Methylacetamido)acetate
C19H20ClNO4 (361.1080790000001)
1-(3-Fluorophenyl)-6-methyl-3-(2-quinolinylmethoxy)-4(1H)-pyridazinone
(±)-(isopropyl)(beta,3,4-trihydroxyphenethyl)ammonium [R-(R*,R*)]-hydrogen tartrate
C11H17NO3.C4H6O6 (361.1372748)
5-[(4-chloro-2-nitrophenyl)azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
C15H12ClN5O4 (361.05777820000003)
ETHYL (2S)-(+)-2-(4-(6-CHLOROBENZOXAZOL&
C18H16ClNO5 (361.07169560000006)
Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate
Methyl 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[(1E)-N-methoxyetha nimidoyl]benzoate
4-Chloro-2,5-bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
C17H22B2ClNO4 (361.14233820000004)
1-(4-Fluorophenyl)-6-methyl-3-(2-quinolinylmethoxy)-4(1H)-pyridazinone
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione
A-TOSYL-(3,4,5-TRIMETHOXYLBENZYL)ISOCYANIDE
C18H19NO5S (361.09838840000003)
Polmacoxib
C18H16FNO4S (361.07840280000005)
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AH - Coxibs C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C80509 - COX-2 Inhibitor C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
4-[[5-Ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid
C18H19NO5S (361.09838840000003)
Dimethyl 2-{4-[(3-chlorobenzoyl)amino]phenyl}malonate
C18H16ClNO5 (361.07169560000006)
N-[(4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-4-methyl-2-pyridinamine
C22H20ClN3 (361.13456700000006)
3-(1-Benzotriazolylmethyl)-6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
C18H15N7S (361.11095900000004)
2-[[3-(4-Fluorophenyl)-7-triazolo[4,5-d]pyrimidinyl]thio]butanoic acid ethyl ester
5-PyriMidinecarboxaMide, N-(5-fluoro-3-Methyl-1H-indol-1-yl)-4-Methyl-2-(2-pyridinyl)-
5-amino-2-{4-[(4-aminophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
4-{4-[(5-Hydroxy-2-Methylphenyl)amino]quinolin-7-Yl}-1,3-Thiazole-2-Carbaldehyde
(6Z)-6-{[(1Z)-1-{[(1R)-1-Carboxy-2-methyl-2-propen-1-yl]imino}-1-hydroxy-3-sulfanyl-2-propanyl]imino}-6-hydroxynorleucine
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-methyl-N-sulfooxypropanimidothioate
6-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine
1-Azabicyclo[2.2.2]octan-3-yl-bis(3-chlorophenyl)methanol
3,4-dimethoxy-N-[[[oxo(2-pyrazinyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide
C15H15N5O4S (361.08447100000006)
(1,2-Dimethyl-3-indolyl)-diphenyl-sulfanylidenephosphorane
1-S-[(1Z)-2-methyl-N-(sulfooxy)propanimidoyl]-1-thio-beta-D-glucopyranose
N-[2-(2-ethyl-5-tetrazolyl)phenyl]-3-(1-tetrazolyl)benzamide
N-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-2-furancarboxamide
2,4-Dichloro-6-[1-(4-morpholinyl)-3-phenylprop-2-ynyl]phenol
C19H17Cl2NO2 (361.06362820000004)
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(2-pyridinylthio)methyl]-4-triazolecarboxylic acid propan-2-yl ester
C14H15N7O3S (361.09570400000007)
1-(4-Chlorophenyl)-2-[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]ethanone
(4Z)-2-(4-methoxyphenyl)-4-[(1,2,4-triazol-4-ylamino)methylidene]isoquinoline-1,3-dione
6-(3-methoxyphenyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine
C21H19N3OS (361.12487640000006)
2-(4-Fluoro-3-methylphenyl)sulfonyl-5-(2-methoxyphenyl)-3-pyrazolamine
4-chloro-N-{[2-(3-phenylpropanoyl)hydrazino]carbothioyl}benzamide
4-[(2-Methylanilino)methylidene]-2-(2-thiazolyl)isoquinoline-1,3-dione
(E)-3-(4-methoxyphenyl)-N-[(thiophene-2-carbonylamino)carbamothioyl]prop-2-enamide
methyl (2-chloro-5-{(1Z)-N-[(6-methylpyridin-2-yl)methoxy]ethanimidoyl}benzyl)carbamate
C18H20ClN3O3 (361.11931200000004)
4-[[4-(4-Methoxyphenyl)-2-thiazolyl]amino]benzenesulfonamide
N-[2-(2-ethyl-5-tetrazolyl)phenyl]-4-(1-tetrazolyl)benzamide
1-(Benzenesulfonyl)-3-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazole
2-Cyano-3-(4,5-dimethoxy-2-nitro-phenyl)-N-(tetrahydro-furan-2-ylmethyl)-acrylamide
(5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
C21H19N3OS (361.12487640000006)
N-(3,4-dimethoxyphenyl)-2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio]acetamide
C17H19N3O4S (361.10962140000004)
3-Methylbutyl (1S,5R,7R)-4-oxo-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
C19H23NO4S (361.13477180000007)
2-[[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-imino-1-pentyl-2H-pyrrol-3-ol
C18H20ClN3OS (361.1015540000001)
N-[3-(2-chloro-10-phenothiazinyl)propyl]butane-1,4-diamine
C19H24ClN3S (361.13793740000006)
2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
methyl 2-[(2R,5R,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
methyl 2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
2-[(2S,5R,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
methyl (1R,9S,10S,11S)-10-(hydroxymethyl)-6-oxo-12-(1,3-thiazol-2-ylmethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
C17H19N3O4S (361.10962140000004)
methyl (1S,9R,10R,11R)-10-(hydroxymethyl)-6-oxo-12-(1,3-thiazol-2-ylmethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
C17H19N3O4S (361.10962140000004)
2-[(2R,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(2R,5R,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(2S,5R,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
Ethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
[(2E)-2-{(2E)-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]hydrazinylidene}-4-oxo-1,3-thiazolidin-5-yl]acetic acid
C15H15N5O4S (361.08447100000006)
1-S-[(1Z)-N-(sulfooxy)butanimidoyl]-1-thio-beta-D-glucopyranose
(5E)-2-(3,4-dimethylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
C21H19N3OS (361.12487640000006)
5-(1-Methylpiperidin-2-yl)-2,3-bipyridine trihydrochloride
C16H22Cl3N3 (361.08792220000004)
(3R)-4-(Methoxymethyl-thio)-3-(N-methoxymethyl-N-tosyl)aminobutan-2-one
C15H23NO5S2 (361.10175879999997)
3-[(Diethoxyphosphinyl)methyl]-5-(phenylsulfonyl)-2-isoxazoline
C14H20NO6PS (361.07489100000004)
1,2-Di(methoxycarbonyl)-5-phenyl-3H-pyrrolo[2,1,5-de]quinolizin-3-one
C21H15NO5 (361.09501800000004)
5-hydroxyomeprazole
C17H19N3O4S (361.10962140000004)
A sulfoxide that is omeprazole in which one of the methyl hydrogens at position 5 on the pyridine ring is substituted by a hydroxy group.
Nitroflurbiprofen
C19H20FNO5 (361.13254420000004)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
2-methyladenosine 5-monophosphate
A purine ribonucleoside 5-monophosphate having 2-methyladenine as the nucleobase.
propylglucosinolic acid
An alkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a N-(sulfooxy)butanimidoyl group at the anomeric sulfur.
HIF-1α-IN-2
C21H19N3OS (361.12487640000006)
HIF-1α-IN-2 is an effective HIF-1α inhibitor with anticancer potencies (IC50s of 28 nM and 15 nM in MDA-MB-231 and MiaPaCa-2 cells, respectively). HIF-1α-IN-2?suppresses HIF-1α expression by blocking transcription and?protein translation[1].
(2s)-5-carbamimidamido-2-[2-(6-hydroxy-1h-indol-3-yl)-2-oxoacetamido]pentanoic acid
1,2-dimethyl (1r,2s)-1,2-dimethoxy-3-methyl-8-oxocyclobuta[b]quinoline-1,2-dicarboxylate
[(2-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino]oxysulfonic acid
(2r,3r,4s,5s,6r)-2-({6-[(z)-(hydroxyimino)methyl]-[2,2'-bipyridin]-4-yl}oxy)-6-methyloxane-3,4,5-triol
1,2-dimethyl 1,2-dimethoxy-3-methyl-8-oxocyclobuta[b]quinoline-1,2-dicarboxylate
2-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-6-methoxy-4-methylbenzenecarboximidic acid
n-[2-hydroxy-4-(methoxycarbonyl)phenyl]-2,3,4-trimethoxybenzenecarboximidic acid
6-(1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
7-chloro-(2r)-2-o-β-d-glucopyranosyl-2h-1,4-benzoxazin-3(4h)-one
{"Ingredient_id": "HBIN013136","Ingredient_name": "7-chloro-(2r)-2-o-\u03b2-d-glucopyranosyl-2h-1,4-benzoxazin-3(4h)-one","Alias": "NA","Ingredient_formula": "C14H16ClNO8","Ingredient_Smile": "C1=CC2=C(C=C1Cl)OC(C(=O)N2)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3554","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,9,9-trimethoxy-13-methyl-10-azapentacyclo[9.7.1.0²,¹⁰.0³,⁸.0¹⁵,¹⁹]nonadeca-1,3(8),4,6,11,13,15(19),16-octaen-18-one
(3s,4r)-5-hydroxy-3,4-bis(6-hydroxy-1h-indol-3-yl)-3,4-dihydropyrrol-2-one
C20H15N3O4 (361.10625100000004)
3-[2-(dimethylamino)-4-hydroxypteridin-6-yl]-2,3-dihydroxypropoxyphosphonic acid
2-[(1z,2s,3s,4s,6r)-2,4-dihydroxy-3-methoxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene]acetonitrile
[(z)-(2-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino]oxysulfonic acid
5-hydroxy-3,4-bis(6-hydroxy-1h-indol-3-yl)-3,4-dihydropyrrol-2-one
C20H15N3O4 (361.10625100000004)
1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one
methyl 1-methyl-4-oxo-2-(1,2,3-trimethoxy-3-oxoprop-1-en-1-yl)quinoline-3-carboxylate
7-hydroxy-9-(5-hydroxy-1h-indol-3-yl)-3,10-diazatricyclo[6.4.1.0⁴,¹³]trideca-1,4,6,8(13),9-pentaene-11-carboxylic acid
C20H15N3O4 (361.10625100000004)
(2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid
5-carbamimidamido-2-[2-(6-hydroxy-1h-indol-3-yl)-2-oxoacetamido]pentanoic acid
n-[(3z,14z)-1,1,15-trichloropentadeca-1,3,14-trien-12-yn-8-yl]ethanimidic acid
C17H22Cl3NO (361.07668920000003)
(11r)-7-hydroxy-9-(5-hydroxy-1h-indol-3-yl)-3,10-diazatricyclo[6.4.1.0⁴,¹³]trideca-1,4,6,8(13),9-pentaene-11-carboxylic acid
C20H15N3O4 (361.10625100000004)
methyl (2r)-3'-amino-5-hydroxy-4'-methoxy-7-methyl-4,6'-dioxospiro[1,3-benzodioxine-2,1'-cyclohexane]-2',4'-diene-2'-carboxylate
methyl (2r)-5'-amino-5-hydroxy-2'-methoxy-7-methyl-4,4'-dioxospiro[1,3-benzodioxine-2,1'-cyclohexane]-2',5'-diene-6'-carboxylate
(2s,4r,5r,6s)-6-[(1s)-1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
(2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[(2s)-1-hydroxy-3-[(r)-(methylsulfanyl)methanesulfinyl]propan-2-yl]prop-2-enimidic acid
(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-[(2r)-2-hydroxy-3-(1h-pyrrole-2-carbonyloxy)propoxy]oxane-2-carboxylic acid
(2r)-5-carbamimidamido-2-[2-(6-hydroxy-1h-indol-3-yl)-2-oxoacetamido]pentanoic acid
methyl 1-methyl-4-oxo-2-[(1z)-1,2,3-trimethoxy-3-oxoprop-1-en-1-yl]quinoline-3-carboxylate
1,2-dimethyl (1r,2r)-1,2-dimethoxy-3-methyl-8-oxocyclobuta[b]quinoline-1,2-dicarboxylate
[(2-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}propylidene)amino]oxysulfonic acid
2-[(1e,2s,3r,4s,6r)-2,3-dihydroxy-4-methoxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene]acetonitrile
1,6,7-trimethoxy-n,n-dimethyl-8-(methyldisulfanyl)-3,4-dihydro-1h-2-benzothiopyran-5-amine
4-[(2,2-dimethylchromen-6-yl)methyl]-5-hydroxy-3-(4-hydroxyphenyl)pyrrol-2-one
(2s,3s)-3-[2-(dimethylamino)-4-hydroxypteridin-6-yl]-2,3-dihydroxypropoxyphosphonic acid
18-methoxy-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2(10),3,8,11,14(19),15,17,20-nonaen-17-yl acetate
C21H15NO5 (361.09501800000004)
(2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-{1-hydroxy-3-[(r)-(methylsulfanyl)methanesulfinyl]propan-2-yl}prop-2-enimidic acid
2-({6-[(hydroxyimino)methyl]-[2,2'-bipyridin]-4-yl}oxy)-6-methyloxane-3,4,5-triol
(11s)-7-hydroxy-9-(5-hydroxy-1h-indol-3-yl)-3,10-diazatricyclo[6.4.1.0⁴,¹³]trideca-1,4,6,8(13),9-pentaene-11-carboxylic acid
C20H15N3O4 (361.10625100000004)