Exact Mass: 357.060565
Exact Mass Matches: 357.060565
Found 202 metabolites which its exact mass value is equals to given mass value 357.060565,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Indomethacin
C19H16ClNO4 (357.07678060000006)
Indomethacin is a non-steroidal antiinflammatory agent (NSAIA) with antiinflammatory, analgesic and antipyretic activity. Its pharmacological effect is thought to be mediated through inhibition of the enzyme cyclooxygenase (COX), the enzyme responsible for catalyzes the rate-limiting step in prostaglandin synthesis via the arachidonic acid pathway. CONFIDENCE standard compound; INTERNAL_ID 1033; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9631; ORIGINAL_PRECURSOR_SCAN_NO 9627 CONFIDENCE standard compound; INTERNAL_ID 1033; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9618; ORIGINAL_PRECURSOR_SCAN_NO 9614 CONFIDENCE standard compound; INTERNAL_ID 1033; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9602; ORIGINAL_PRECURSOR_SCAN_NO 9599 CONFIDENCE standard compound; INTERNAL_ID 1033; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9606; ORIGINAL_PRECURSOR_SCAN_NO 9605 CONFIDENCE standard compound; INTERNAL_ID 1033; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9610; ORIGINAL_PRECURSOR_SCAN_NO 9609 CONFIDENCE standard compound; INTERNAL_ID 1033; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9598; ORIGINAL_PRECURSOR_SCAN_NO 9596 M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor C - Cardiovascular system > C01 - Cardiac therapy CONFIDENCE standard compound; EAWAG_UCHEM_ID 207 CONFIDENCE standard compound; INTERNAL_ID 2714 CONFIDENCE standard compound; INTERNAL_ID 8611 D000893 - Anti-Inflammatory Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
TOLRESTAT
C16H14F3NO3S (357.06464500000004)
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10X - Other drugs used in diabetes > A10XA - Aldose reductase inhibitors C471 - Enzyme Inhibitor > C72880 - Aldose Reductase Inhibitor D004791 - Enzyme Inhibitors
Chlorsulfuron
C12H12ClN5O4S (357.02985020000006)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Deacetoxycephalosporin C
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
cyclo-dopa 5-O-glucoside
C15H19NO9 (357.10597640000003)
Cyclo-dopa 5-o-glucoside, also known as leucodopachrome 5-beta-D-glucoside, is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Cyclo-dopa 5-o-glucoside is soluble (in water) and a moderately acidic compound (based on its pKa). Cyclo-dopa 5-o-glucoside can be found in a number of food items such as almond, gooseberry, apricot, and pepper (c. pubescens), which makes cyclo-dopa 5-o-glucoside a potential biomarker for the consumption of these food products.
HMBOA-Glc
C15H19NO9 (357.10597640000003)
Constituent of the roots of Coix lachryma-jobi (Jobs tears). (R)-2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in many foods, some of which are coffee and coffee products, corn, alcoholic beverages, and tea. HMBOA-Glc is found in alcoholic beverages. HMBOA-Glc is a constituent of the roots of Coix lachryma-jobi (Jobs tears).
Cyclodopa glucoside
C15H19NO9 (357.10597640000003)
Cyclodopa glucoside is found in brassicas. Cyclodopa glucoside occurs in red beet cabbage juic
Balsalazide
Balsalazide is an anti-inflammatory drug used in the treatment of Inflammatory Bowel Disease. It is sold under the name Colazal in the US and Colazide in the UK. The chemical name is (E)-5-[[-4-(2-carboxyethyl) aminocarbonyl] phenyl]azo] -2-hydroxybenzoic acid. It is usually administered as the disodium salt. Balsalazide releases mesalazine, also known as 5-aminosalicylic acid, or 5-ASA, in the large intestine. Its advantage over that drug in the treatment of Ulcerative colitis is believed to be the delivery of the active agent past the small intestine to the large intestine, the active site of ulcerative colitis. A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D005765 - Gastrointestinal Agents D018501 - Antirheumatic Agents
Cinolazepam
Cinolazepam is only found in individuals that have used or taken this drug. It is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. Cinolazepam is not approved for sale in the United States or Canada.Cinolazepam binds to central benzodiazepine receptors which interact allosterically with GABA receptors. This potentiates the effects of the inhibitory neurotransmitter GABA, increasing the inhibition of the ascending reticular activating system and blocking the cortical and limbic arousal that occurs following stimulation of the reticular pathways. N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
2-Methoxyacetaminophen glucuronide
C15H19NO9 (357.10597640000003)
2-Methoxyacetaminophen glucuronide is classified as a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. 2-Methoxyacetaminophen glucuronide is considered to be soluble (in water) and a moderately acidic compound.
2,4-Dihydroxy-1,4-benzoxazin-3-one glucuronide
Bendamustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AA - Nitrogen mustard analogues D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents
Droxicam
C16H11N3O5S (357.04193960000003)
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AC - Oxicams C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Chileninone
C19H16NO4.Cl (357.07678060000006)
Berberrubine is an alkaloid. Berberrubine chloride is an active metabolite of berberine, attenuates ulcerative colitis in mice model[1]. Berberrubine chloride is an active metabolite of berberine, attenuates ulcerative colitis in mice model[1].
O1-[(3,5-Dimethyl-4-isoxazolyl)carbonyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanehydroximamide
C16H15N5O5 (357.10731400000003)
N1-(4-Chlorophenyl)-2-{amino[5-(trifluoromethyl)-2-pyridyl]methylidene}hydrazine-1-carboxamide
BALSALAZIDE
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D005765 - Gastrointestinal Agents D018501 - Antirheumatic Agents
PRP_M358a
C15H17Cl2N3O3 (357.0646912000001)
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2401
8-O-beta-D-glucopyranoside of 8-hydroxy-2-quinolone-4-carboxylic acid
C15H19NO9 (357.10597640000003)
1,1-S-Dioxide-3,3-(1-Methyl-2,5-pyrrolidinediyl)bis-1,2-dithiolan-4-ol
A-803467
C19H16ClNO4 (357.07678060000006)
A-803467 is a potent and selective tetrodotoxin-resistant Nav1.8 sodium channel blocker (IC50=8 nM). A-803467 has shown significant anti-nociception in neuropathic and inflammatory pain models. A-803467 enhances the chemosensitivity of conventional anticancer agents through interaction with the ATP-binding cassette subfamily G member 2 (ABCG2) transporter[1][2].
Chileninone
C19H16ClNO4 (357.07678060000006)
Berberrubine is an alkaloid. Berberrubine chloride is an active metabolite of berberine, attenuates ulcerative colitis in mice model[1]. Berberrubine chloride is an active metabolite of berberine, attenuates ulcerative colitis in mice model[1].
Aristolochic acid Va
aristolochic D
Aristolochic acid D is an aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, by a methoxy group at position 8, and by a nitro group at position 10. It has a role as a carcinogenic agent, a metabolite, a nephrotoxin and a toxin. It is a C-nitro compound, a member of aristolochic acids, an aromatic ether, a cyclic acetal, a monocarboxylic acid and an organic heterotetracyclic compound. Aristolochic acid d is a natural product found in Aristolochia kaempferi, Aristolochia mollissima, and Aristolochia heterophylla with data available. An aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, by a methoxy group at position 8, and by a nitro group at position 10.
7-Hydroxyaristolochate A
thalifendine
C19H16ClNO4 (357.07678060000006)
Indometacin
C19H16ClNO4 (357.07678060000006)
A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor C - Cardiovascular system > C01 - Cardiac therapy D000893 - Anti-Inflammatory Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
PRP_M358b
C15H17Cl2N3O3 (357.0646912000001)
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2402
C15H19NO9_2H-1,4-Benzoxazin-3(4H)-one, 2-(beta-D-glucopyranosyloxy)-7-methoxy-, (2R)
C15H19NO9 (357.10597640000003)
Bendamustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AA - Nitrogen mustard analogues D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents
Cinolazepam
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Cyclodopa glucoside
C15H19NO9 (357.10597640000003)
2-Gmbo
C15H19NO9 (357.10597640000003)
6-Chloro-2-(2-methyl-2-propanyl)-7-(1-piperazinylsulfonyl)-1,3-be nzoxazole
C15H20ClN3O3S (357.09138400000006)
thymidine 3-monophosphate ammonium salt hydrate
C10H20N3O9P (357.09371200000004)
4-(5-Bromopyrimidin-2-yloxy)piperidine-1-carboxylic acid tert-butyl
(2-TRIMETHYLSTANNANYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
2-ethoxy-5-[(4-fluorobenzoyl)amino]benzenesulfonyl chloride
C15H13ClFNO4S (357.0237820000001)
2-N-BOC-2-AMINOMETHYL-3-(4-BROMO-PHENYL)-PROPIONIC ACID
C15H20BrNO4 (357.0575620000001)
Clometacin
C19H16ClNO4 (357.07678060000006)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
(2S)-3-amino-4-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
C15H20BrNO4 (357.0575620000001)
2-N-BOC-2-AMINOMETHYL-3-(3-BROMO-PHENYL)-PROPIONIC ACID
C15H20BrNO4 (357.0575620000001)
Pyrido[2,3-b][1,6]naphthyridine, 6,7,8,9-tetrahydro-7-[3-(trifluoromethyl)benzoyl]- (9CI)
3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]benzoic acid
C19H19NO4S (357.10347340000004)
Potassium 1-Boc-6-chloroindole-2-trifluoroborate
C13H13BClF3KNO2 (357.03169940000004)
1,5-bis-(4-chlorophenyl)-biguanide hcl
C14H14Cl3N5 (357.03147340000004)
2,2,2-Trifluoro-1-(4-methylphenyl)-O-[(4-methylphenyl)sulfonyl]oxime ethanone
C16H14F3NO3S (357.06464500000004)
10-(2-chloroethyl)-6-piperazin-1-ylbenzo[b][1,4]benzothiazepine
C19H20ClN3S (357.1066390000001)
(R)-6-Benzyloxymethyl-4-methyl-5,6-dihydro-pyran-2-one
Boc-(S)-3-amino-4-(4-bromophenyl)-butyric acid
C15H20BrNO4 (357.0575620000001)
3-CHLORO-1-(2-TRIFLUOROMETHYL-PHENOTHIAZIN-10-YL)-PROPAN-1-ONE
C16H11ClF3NOS (357.02019420000005)
N-ACETYL-3-METHYLENE-4-(1H,1H-NONAFLUOROPENTYL)PYRROLIDINE
2-BROMO-4-(3,6,6-TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL)BENZONITRILE
N-(3-NITRO-2-PYRIDINESULFENYL)-L-GLUTAMIC ACID GAMMA-T-BUTYL ESTER
Ethyl 5-hydroxy-2-(methylthio)-7-oxo-8-phenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
C17H15N3O4S (357.07832300000007)
TERT-BUTYL (3-BROMO-5-(TERT-BUTYL)-4-METHOXYPHENYL)CARBAMATE
C16H24BrNO3 (357.09394540000005)
Midaflur
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
boc-(r)-3-amino-4-(2-bromo-phenyl)-butyric acid
C15H20BrNO4 (357.0575620000001)
{[(2S,3S)-3-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)a cetyl]amino}-2-methyl-4-oxo-1-azetidinyl]oxy}acetic acid
C12H15N5O6S (357.07430100000005)
Boc-(S)-3-Amino-4-(2-bromo-phenyl)-butyric acid
C15H20BrNO4 (357.0575620000001)
BOC-(R)-3-amino-4-(4-bromo-phenyl)-butyric acid
C15H20BrNO4 (357.0575620000001)
methyl (2S)-(tert-butoxycarbonylamino)-5-iodopentanoate
C11H20INO4 (357.04370300000005)
1,3,5-Triazine,2-chloro-4-(1-dibenzofuranyl)-6-phenyl-
C21H12ClN3O (357.06688520000006)
2-Chloro-4-(4-dibenzofuranyl)-6-phenyl-1,3,5-triazine
C21H12ClN3O (357.06688520000006)
S-Methyl-N-[3-(trifluoroMethyl)phenylsulfonyl]hoMocysteine
4-(10-bromoanthracen-9-yl)benzonitrile
C21H12BrN (357.01530520000006)
4-(4-BROMO-1H-PYRAZOL-1-YL)-N,N-DIETHYLBENZENESULFONAMIDE
C13H16BrN3O2S (357.01465360000003)
4-(4-Bromo-1H-pyrazol-1-yl)-N-butylbenzenesulfonamide
C13H16BrN3O2S (357.01465360000003)
4-(4-Bromo-1H-pyrazol-1-yl)-N-(tert-butyl)benzenesulfonamide
C13H16BrN3O2S (357.01465360000003)
3-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]propiononitrile
C17H16ClN5O2 (357.09924659999996)
1-[4-(6-bromohexoxy)butyl]-4-nitrobenzene
C16H24BrNO3 (357.09394540000005)
5-(2-benzothiazolyl)-1,3-diphenylformazan
C20H15N5S (357.10481100000004)
8-BOC-3-(TRIFLUOROMETHYLSULFONYLOXY)-8-AZABICYCLO[3.2.1]OCT-3-ENE
N-(6-Amino-5-(2-chloro-5-methoxyphenyl)pyridin-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
C17H16ClN5O2 (357.09924659999996)
Clopidogrel hydrochloride
C16H17Cl2NO2S (357.03570020000006)
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent > C190801 - P2Y12 Inhibitor D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors
3-Methoxyacetaminophen glucuronide
C15H19NO9 (357.10597640000003)
3-[[2-(4-Fluorophenoxy)-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophenecarboxamide
N-(4-chloro-3-methoxy-phenyl)-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
C18H16ClN3O3 (357.08801360000007)
2-(2,4-Dichlorophenyl)-alpha-methyl-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-ethanol
C15H17Cl2N3O3 (357.0646912000001)
9-Hydroxy-8-methoxy-6-nitro-phenanthrol[3,4-D][1,3]dioxole-5-carboxylic acid
3-{[4-([Amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1H-indole
(3R)-3-[3,5-Bis(trifluoromethyl)anilino]-2-cyano-3-sulfanylpropanamide
C12H9F6N3OS (357.03704960000005)
Droxicam
C16H11N3O5S (357.04193960000003)
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AC - Oxicams C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Cellobionate
A carbohydrate acid anion that is the conjugate base of cellobionic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
7-Hydroxy-8,12-dihydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-1,3,10(2H,9H)-trione
(Z,4E)-4-[cyano-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylidene]hex-2-enedioic acid
(7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid
2-Methoxyacetaminophen glucuronide
C15H19NO9 (357.10597640000003)
A beta-D-glucosiduronic acid that is 2-methoxyacetaminophen in which the phenolic hydrogen is replaced by a beta-D-glucuronosyl group.
1-(2,1,3-Benzothiadiazol-4-yl)-3-[(E)-(3,4-dimethoxyphenyl)methyleneamino]urea
N-[3-(1,3-benzothiazol-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]acetamide
1-(4-Fluorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
C17H15F4NO3 (357.09880080000005)
N1-(4-chloro-3-cyanophenyl)-N2-(4-methoxyphenethyl)oxalamide
C18H16ClN3O3 (357.08801360000007)
6-[[2-(4-Morpholinyl)-2-oxoethyl]thio]-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
C17H15N3O4S (357.07832300000007)
4-[5-Oxo-7-(1-piperazinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]benzoic acid
(2S-3S)-versiconal hemiacetal(1-)
A phenolate anion obtained by deprotonation of the 8-hydroxy group of (2S-3S)-versiconal hemiacetal. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
[4-(7-Chloro-4-quinolinyl)-1-piperazinyl]-thiophen-2-ylmethanone
C18H16ClN3OS (357.07025560000005)
2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(2-pyridinyl)acetamide
C15H11N5O4S (357.05317260000004)
4-[[5-(1,3-Benzothiazol-2-yl)-2-thiophenyl]-oxomethyl]-1-piperazinecarboxaldehyde
1-[2-(4-Methoxyphenoxy)ethylthio]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
2-[[4-Ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone
2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
C18H16ClN3OS (357.07025560000005)
N-(1,3-benzodioxol-5-yl)-3-ethyl-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide
C17H15N3O4S (357.07832300000007)
6-[(2-Fluorophenyl)methyl]-2-(1-hydroxyethyl)-4-methyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
N(6)-(3-O-phospho-D-ribulosyl)-L-lysine
C11H22N2O9P- (357.10628720000005)
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine
C12H16BrN5OS (357.02588660000004)
2-[[[4-(2-Chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
(4-Chlorophenyl)-[1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinyl]methanone
C18H16ClN3OS (357.07025560000005)
2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
C15H17Cl2N3O3 (357.0646912000001)
3-aminopropyl N-acetyl-6-O-sulfonato-beta-D-glucosaminide
3-aminopropyl N-acetyl-alpha-D-glucosamine-1-phosphate(1-)
C11H22N2O9P- (357.10628720000005)
4-Hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonate
C17H13N2O5S- (357.05451480000005)
(5Z)-1-(4-chlorophenyl)-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
C18H16ClN3O3 (357.08801360000007)
2alpha-(beta-D-Glucopyranosyloxy)-7-methoxy-2H-1,4-benzooxazine-3(4H)-one
C15H19NO9 (357.10597640000003)
3-[(3-Acetyloxy-2-propanoyloxypropoxy)-hydroxyphosphoryl]oxy-2-aminopropanoic acid
C11H20NO10P (357.08247900000003)
CHLORSULFURON
C12H12ClN5O4S (357.02985020000006)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Tnp-Gln
An L-alpha-amino acid that is L-glutamine substituted at the alpha-nitrogen by a 2,4,6-trinitrophenyl group.
5-hydroxy-3,3,4,7-tetramethoxyflavone(1-)
A flavonoid oxoanion resulting from the deprotonation of the hydroxy group of 5-hydroxy-3,3,4,7-tetramethoxyflavone. The major species at pH 7.3.
1,4-dihydroxymidazolam
An imidazobenzodiazepine that is midazolam which is substituted by a hydroxy group at positions 2 and 4. It is the minor metabolite of the anesthetic, midazolam.
HMBOA beta-D-glucoside
C15H19NO9 (357.10597640000003)
A beta-D-glucoside derived from 2-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazine.
cyclodopa 5-beta-D-glucoside
C15H19NO9 (357.10597640000003)
An indolyl carbohydrate that is cyclodopa in which the phenolic hydrogen at position 5 has been replaced by a beta-D-glucosyl residue.
Ischemin (sodium)
Ischemin sodium is a CBP bromodomain inhibitor that inhibits p53 interaction with CBP and transcriptional activity in cells. Ischemin sodium salt inhibits p53-induced p21 activation with an IC50 value of 5 μM. Ischemin sodium salt also prevents apoptosis in ischemic cardiomyocytes. Ischemin sodium salt can be used in the study of cardiovascular diseases (such as myocardial ischemia)[1].
SR 16832
C17H12ClN3O4 (357.05163020000003)
SR 16832 is a dual site covalent PPARγ inhibitor that acts at orthosteric and allosteric sites[1].
VU6005649
VU6005649 is a CNS penetrant mGlu7/8 receptor agonist with EC50s of 0.65 μM and 2.6 μM for mGlu7 receptor and mGlu8 receptor, respectively.
methyl 6-hydroxy-3,4-dimethoxy-10-nitrophenanthrene-1-carboxylate
C18H15NO7 (357.08484799999997)
(4s,6s)-6-[(4-bromo-1h-pyrrole-2-carbonyloxy)methyl]-1,6-dimethyl-4,5-dihydropyrimidine-4-carboxylic acid
C13H16BrN3O4 (357.03241160000005)
(6r,7r)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
9-hydroxy-8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
3,11-dihydroxy-16-oxa-4,14,22-triazahexacyclo[15.6.1.0²,⁶.0⁷,¹⁵.0⁸,¹³.0²¹,²⁴]tetracosa-1(23),2,6,8(13),9,11,14,17,19,21(24)-decaen-5-one
8-hydroxy-7-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid
{"Ingredient_id": "HBIN013770","Ingredient_name": "8-hydroxy-7-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid","Alias": "NA","Ingredient_formula": "C17H11NO8","Ingredient_Smile": "NA","Ingredient_weight": "357.27","OB_score": "NA","CAS_id": "107259-48-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7350","PubChem_id": "NA","DrugBank_id": "NA"}
aristolochicacid e
{"Ingredient_id": "HBIN016805","Ingredient_name": "aristolochicacid e","Alias": "NA","Ingredient_formula": "C17H11NO8","Ingredient_Smile": "COC1=C(C2=CC(=C3C(=CC4=C(C3=C2C=C1)OCO4)C(=O)O)[N+](=O)[O-])O","Ingredient_weight": "357.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1715","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "147113","DrugBank_id": "NA"}
2-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3a,7a-dihydro-3h-indole-3-carboxylic acid
C15H19NO9 (357.10597640000003)
2-[(3-hydroxy-7-methoxy-2h-1,4-benzoxazin-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C15H19NO9 (357.10597640000003)
(1r,4r,5s)-4-(2-bromoethyl)-1-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-5-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-one
C15H20BrNO4 (357.0575620000001)
(6r,7s)-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
6,14,20-trihydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),13,17(22),18,20-decaen-12-one
(2r,3r,4s,5s,6s)-2-{[(2r)-3-hydroxy-7-methoxy-2h-1,4-benzoxazin-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C15H19NO9 (357.10597640000003)
methyl 3-hydroxy-4,8-dimethoxy-10-nitrophenanthrene-1-carboxylate
C18H15NO7 (357.08484799999997)
(3s,3as,7ar)-2-hydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3a,7a-dihydro-3h-indole-3-carboxylic acid
C15H19NO9 (357.10597640000003)
(1s,4r,5s)-4-(2-bromoethyl)-1-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-5-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-one
C15H20BrNO4 (357.0575620000001)
6,7,14-trihydroxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),13,17(22),18,20-decaen-12-one
3,11-dihydroxy-16-oxa-4,14,22-triazahexacyclo[15.6.1.0²,⁶.0⁷,¹⁵.0⁸,¹³.0²¹,²⁴]tetracosa-1(23),2(6),3,7(15),8,10,12,17(24),18,20-decaen-5-one
6-[(4-bromo-1h-pyrrole-2-carbonyloxy)methyl]-1,6-dimethyl-4,5-dihydropyrimidine-4-carboxylic acid
C13H16BrN3O4 (357.03241160000005)
7-[(5-amino-5-carboxy-1-hydroxypentylidene)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
4-(2-bromoethyl)-1-[cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-5-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-one
C15H20BrNO4 (357.0575620000001)
(2s,3r,4s,5s,6r)-2-{[(2s)-3-hydroxy-7-methoxy-2h-1,4-benzoxazin-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C15H19NO9 (357.10597640000003)