Exact Mass: 333.0704604
Exact Mass Matches: 333.0704604
Found 312 metabolites which its exact mass value is equals to given mass value 333.0704604,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dihydrosanguinarine
C20H15NO4 (333.10010300000005)
Dihydrosanguinarine is a benzophenanthridine alkaloid obtained by selective hydrogenation of the 13,14-position of sanguinarine. It has a role as a metabolite and an antifungal agent. It derives from a hydride of a sanguinarine. Dihydrosanguinarine is a natural product found in Sarcocapnos baetica, Sarcocapnos saetabensis, and other organisms with data available. A benzophenanthridine alkaloid obtained by selective hydrogenation of the 13,14-position of sanguinarine. Dihydrosanguinarine is a natural compound isolated from the leaves of Macleaya microcarpa; has antifungal and anticancer activity. IC50 value: Target: in vitro: Dihydrosanguinarine showed much less cytotoxicity than sanguinarine: at the highest concentration tested (20 microM) and 24h exposure, dihydrosanguinarine decreased viability only to 52\\% [1]. Dihydrosanguinarine showed the highest antifungal activity against B. cinerea Pers, with 95.16\\% mycelial growth inhibition at 50 μg/ml [2]. dihydrosanguinarine showed the most potent leishmanicidal activities (IC(50) value: 0.014 microg/ml, respectively) [4]. in vivo: Repeated dosing of DHSG for 90 days at up to 500 ppm in the diet (i.e. approximately 58 mg/kg/day) showed no evidence of toxicity in contrast to results published in the literature [3]. Dihydrosanguinarine is a natural compound isolated from the leaves of Macleaya microcarpa; has antifungal and anticancer activity. IC50 value: Target: in vitro: Dihydrosanguinarine showed much less cytotoxicity than sanguinarine: at the highest concentration tested (20 microM) and 24h exposure, dihydrosanguinarine decreased viability only to 52\% [1]. Dihydrosanguinarine showed the highest antifungal activity against B. cinerea Pers, with 95.16\% mycelial growth inhibition at 50 μg/ml [2]. dihydrosanguinarine showed the most potent leishmanicidal activities (IC(50) value: 0.014 microg/ml, respectively) [4]. in vivo: Repeated dosing of DHSG for 90 days at up to 500 ppm in the diet (i.e. approximately 58 mg/kg/day) showed no evidence of toxicity in contrast to results published in the literature [3].
Norchelerythrine
C20H15NO4 (333.10010300000005)
Norchelerythrine is a benzophenanthridine alkaloid. Norchelerythrine is a natural product found in Zanthoxylum beecheyanum, Zanthoxylum scandens, and other organisms with data available. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents
Ethalfluralin
C13H14F3N3O4 (333.09363600000006)
3-[(2-Chlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one
Robenidine
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents Antiprotozoal, coccidiostat for poultry and rabbits Robenidine is a coccidiostat
Bromodiphenhydramine
C17H20BrNO (333.07281700000004)
Bromodiphenhydramine is only found in individuals that have used or taken this drug. It is an ethanolamine antihistamine with antimicrobial property. Bromodiphenhydramine is used in the control of cutaneous allergies. Ethanolamine antihistamines produce marked sedation in most patientsBromodiphenhydramine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AA - Aminoalkyl ethers C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
2-(4-Nitrophenoxy)-1-(4-phenylphenyl)ethanone
C20H15NO4 (333.10010300000005)
Andolast
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator
Meglitinide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98079 - Meglitinide Antidiabetic Agent D007004 - Hypoglycemic Agents
Oxonorfloxacin
Rimeporide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
(6R)-6-[(2-Chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid
C13H13ClFNO4S (333.02378200000004)
7,8-dihydroneopterin 3'-phosphate
7,8-dihydroneopterin 3-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). 7,8-dihydroneopterin 3-phosphate can be found in a number of food items such as natal plum, sweet bay, japanese persimmon, and caraway, which makes 7,8-dihydroneopterin 3-phosphate a potential biomarker for the consumption of these food products.
beta-nicotinate D-ribonucleotide
C11H12NO9P (333.02496720000005)
beta-nicotinate d-ribonucleotide is a member of the class of compounds known as nicotinic acid nucleotides. Nicotinic acid nucleotides are pyridine nucleotides, in which the pyridine base is nicotinic acid or a derivative thereof. beta-nicotinate d-ribonucleotide is soluble (in water) and a moderately acidic compound (based on its pKa). beta-nicotinate d-ribonucleotide can be found in a number of food items such as asian pear, common verbena, small-leaf linden, and pepper (spice), which makes beta-nicotinate d-ribonucleotide a potential biomarker for the consumption of these food products.
Flurtamone
CONFIDENCE standard compound; INTERNAL_ID 2318 CONFIDENCE standard compound; INTERNAL_ID 8438 CONFIDENCE standard compound; INTERNAL_ID 4064 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3600 EAWAG_UCHEM_ID 3600; CONFIDENCE standard compound
Epinephrine bitartrate
C13H19NO9 (333.10597640000003)
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
7,9-Dimethoxy-2,3-methylendioxybenzophenanthridine
C20H15NO4 (333.10010300000005)
fumimycin
C16H15NO7 (333.08484799999997)
A member of the class of 1-benzofurans that is 1-benzofuran-2(3H)-one substituted by a propenyl group at position 4, hydroxy groups at positions 5 and 6, methyl group at position 3 and a [(2E)-3-carboxyprop-2-enoyl]nitrilo group at position 3. Isolated from the fermentation broth of Aspergillus fumisynnematus F746, it exhibits antibacterial activity.
5-methyl-5,6-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-j]phenanthridine
C20H15NO4 (333.10010300000005)
N-acetyl-9-O-acetyl-2-deoxy-2,3-didehydroneuraminic acid
C13H19NO9 (333.10597640000003)
5-hydroxy-2-(2-hydroxyethyl)-7-phenyl-1h-benzo[de]isoquinoline-1,6(2h)-dione
C20H15NO4 (333.10010300000005)
Robenidine
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent CONFIDENCE standard compound; INTERNAL_ID 1193 CONFIDENCE standard compound; INTERNAL_ID 1093
CI-959
CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4644; ORIGINAL_PRECURSOR_SCAN_NO 4643 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4658; ORIGINAL_PRECURSOR_SCAN_NO 4656 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4623; ORIGINAL_PRECURSOR_SCAN_NO 4622 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4643; ORIGINAL_PRECURSOR_SCAN_NO 4641 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4743; ORIGINAL_PRECURSOR_SCAN_NO 4742 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4666; ORIGINAL_PRECURSOR_SCAN_NO 4664 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9102; ORIGINAL_PRECURSOR_SCAN_NO 9101 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9117; ORIGINAL_PRECURSOR_SCAN_NO 9116 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9137; ORIGINAL_PRECURSOR_SCAN_NO 9136 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9164; ORIGINAL_PRECURSOR_SCAN_NO 9162 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9184; ORIGINAL_PRECURSOR_SCAN_NO 9183 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9157; ORIGINAL_PRECURSOR_SCAN_NO 9156
[[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxy]-, (E)-Acetic acid
C15H18F3NO4 (333.11878640000003)
Robenz
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
2-amino-6-(4-fluorophenyl)-3-nitro-4-phenylbenzonitrile
Bisoxatin
C20H15NO4 (333.10010300000005)
A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AB - Contact laxatives C78276 - Agent Affecting Digestive System or Metabolism > C29697 - Laxative
Boc-(R)-3-AMino-3-(2,3-dichloro-phenyl)-propionic acid
C14H17Cl2NO4 (333.0534582000001)
tert-Butyl 3-(bromomethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
C14H24BrNO3 (333.09394540000005)
(R)-2-(((BENZYLOXY)CARBONYL)AMINO)-3-(4-CHLOROPHENYL)PROPANOIC ACID
Thiazolidine, 2-(4-methylphenyl)-3-[(3-methylphenyl)sulfonyl]- (9CI)
C17H19NO2S2 (333.08571539999997)
5-(N-(1H-INDAZOL-6-YL)SULFAMOYL)-2-HYDROXYBENZOIC ACID
C14H11N3O5S (333.04193960000003)
3-(4-CHLORO-BENZOYLAMINO)-3-(4-METHOXY-PHENYL)-PROPIONIC ACID
N-(3-Chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide
3-N-Boc-3-(2,3-dichlorophenyl)propionic acid
C14H17Cl2NO4 (333.0534582000001)
(betaS)-beta-[[(tert-Butoxy)carbonyl]amino]-2,4,5-trifluorobenzenebutanoic acid
C15H18F3NO4 (333.11878640000003)
2-amino-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide
C15H12ClN3O4 (333.05163020000003)
2-[(2,2,3,3,4,4,4-HEPTAFLUOROBUTANOYL)AMINO!BENZOIC ACID, TECH
3-AMINO-3-[5-(2-CHLORO-5-TRIFLUOROMETHYL-PHENYL)-FURAN-2-YL]-PROPIONIC ACID
C14H11ClF3NO3 (333.03795220000006)
Boc-3-(trifluoromethyl)-D-phenylalanine
C15H18F3NO4 (333.11878640000003)
Boc-(R)-3-Amino-4-(2,4,5-Trifluoro-Phenyl)-Butyric Acid
C15H18F3NO4 (333.11878640000003)
3-AMINO-5-PHENYL-1-(2,2,2-TRIFLUOROETHYL)-1H-BENZO[E][1,4]DIAZEPIN-2(3H)-ONE
3-[(tert-butoxycarbonyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid
C15H18F3NO4 (333.11878640000003)
2-[3-(4-chlorophenoxy)-5-fluoro-2-methylindol-1-yl]acetic acid
C17H13ClFNO3 (333.0567950000001)
2-TERT-BUTOXYCARBONYLAMINO-3-(3,4-DICHLORO-PHENYL)-PROPIONIC ACID
C14H17Cl2NO4 (333.0534582000001)
Boc-(S)-3-Amino-3-(2,3-dichlorophenyl)-propionic acid
C14H17Cl2NO4 (333.0534582000001)
(S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(2-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID
C15H18F3NO4 (333.11878640000003)
(S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(3-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID
C15H18F3NO4 (333.11878640000003)
(S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(4-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID
C15H18F3NO4 (333.11878640000003)
boc-(r)-3-amino-3-(2,4-dichloro-phenyl)-propionic acid
C14H17Cl2NO4 (333.0534582000001)
(R)-BOC-2-(TRIFLUOROMETHYL)-BETA-PHE-OH
C15H18F3NO4 (333.11878640000003)
BOC-(R)-3-AMINO-3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONICACID
C15H18F3NO4 (333.11878640000003)
Boc-(R)-3-Amino-3-(4-trifluoromethylphenyl)-propionic acid
C15H18F3NO4 (333.11878640000003)
2H-Pyrrol-2-one, 4-acetyl-1-(4-chlorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-
C18H20ClNO3 (333.1131640000001)
2H-Pyrrol-2-one, 4-acetyl-1-(4-chlorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-, (5R)-
C18H20ClNO3 (333.1131640000001)
(R)-Duloxetine
C18H20ClNOS (333.0954060000001)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
Ethyl {4-[(4-fluorobenzyl)amino]-2-nitrophenyl}carbamate
Thiazolidine, 2-(2,3-dihydro-1H-phenalen-6-yl)-3-(methylsulfonyl)- (9CI)
C17H19NO2S2 (333.08571539999997)
(2S,3S)-2-AMINO-3-METHOXYBUTANOICACID,98
C18H20ClNO3 (333.1131640000001)
Phosphonic acid,[2-[(phenylamino)carbonyl]phenyl]-, diethyl ester (9CI)
3-[(2-chloro-6-fluorophenyl)methyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
Duloxetine hydrochloride
C18H20ClNOS (333.0954060000001)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
3-[(TERT-BUTOXYCARBONYL)AMINO]-3-(3,4-DICHLOROPHENYL)PROPANOIC ACID
C14H17Cl2NO4 (333.0534582000001)
2-((2-TRIFLUOROMETHYLPHENYLAMINO)METHYLENE)MALONIC ACID DIETHYL ESTER
C15H18F3NO4 (333.11878640000003)
N7-METHYL-N2,N7-DIPHENYLTHIAZOLO[5,4-D]PYRIMIDINE-2,7-DIAMINE
C18H15N5S (333.10481100000004)
4-AMINO-5-CHLORO-2-METHOXY-N-(PIPERIDIN-4-YLMETHYL)BENZAMIDE HYDROCHLORIDE
tert-butyl 4-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate
2H-Pyrrol-2-one, 4-acetyl-1-(4-chlorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-, (5S)-
C18H20ClNO3 (333.1131640000001)
6-BROMO-3-PHENYL-3,4,5,6-TETRAHYDRO-2H-[1,2]BIPYRAZINYL-3-YLAMINE
n-(3-chloroquinoxalin-2-yl)-2-methylbenzenesulfonamide
Dipyrone
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones 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 D058633 - Antipyretics
2H-Pyrrol-2-one, 4-acetyl-1-(3-chlorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-
C18H20ClNO3 (333.1131640000001)
Ethyl 3-(3-amino-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate
C15H18F3NO4 (333.11878640000003)
GSK1059615
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Thiazolidine, 3-(methylsulfonyl)-2-(2,4,5-trimethoxyphenyl)- (9CI)
4-[3-(Methylamino)-1-(2-thienyl)propyl]-1-naphthalenol hydrochloride
C18H20ClNOS (333.0954060000001)
(2E)-2-(HYDROXYIMINO)-N-(3-METHOXYPHENYL)ACETAMIDE
C21H19NOS (333.11872840000007)
3-BROMO-2-(((TERT-BUTYLDIMETHYLSILYL)OXY)METHYL)-6-FLUOROANILINE
(S)-2-(((BENZYLOXY)CARBONYL)AMINO)-3-(4-CHLOROPHENYL)PROPANOIC ACID
N-(4-TRIFLUOROMETHYL)PHENYL-3-TRIFLUOROMETHYLBENZAMIDE
N-[4-(TRIFLUOROMETHYL)PHENYL]-4-(TRIFLUOROMETHYL)BENZAMIDE
2,5-Diethoxy-4-((4-methylphenyl)thio)nitrobenzene
C17H19NO4S (333.10347340000004)
Thiazolidine, 2-(4-methylphenyl)-3-[(4-methylphenyl)sulfonyl]- (9CI)
C17H19NO2S2 (333.08571539999997)
3-[(TOLUENE-4-SULFONYL)-P-TOLYL-AMINO]-PROPIONIC ACID
C17H19NO4S (333.10347340000004)
N-(ADAMANTAN-1-YL)-4-BROMOBENZAMIDE
C17H20BrNO (333.07281700000004)
2,4-thiophenedicarboxylic acid, 5-[(2-chloroacetyl)amino]-3-methyl-, diethyl ester
4-(N-[2,4-Diamino-6-pteridinylmethyl]amino)benzoic acid sodium salt
4-(4-Methoxybenzylamino)-5-ethoxycarbonyl-2-Methylthiopyrimidine
C16H19N3O3S (333.11470640000005)
Boc-D-2-Trifluoromethylphenylalanine
C15H18F3NO4 (333.11878640000003)
2-[[(2,4-Difluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole methanesulfonate
C12H13F2N3O4S (333.05948020000005)
2-((E)-5-((Z)-3-methyl-4-phenylbut-3-enylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
ETHYL2-(2-FLUORO-4-(TRIFLUOROMETHYL)PHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE
1-(3-Bromo-5-methylpyridin-2-yl)-4-propylpiperazine hydrochloride
C13H21BrClN3 (333.06072760000006)
2-chloro-9-[3-(dimethylamino)propyl]thioxanthen-9-ol
C18H20ClNOS (333.0954060000001)
4-PYRIDIN-2-YLPIPERAZINE-1-CARBOXIMIDAMIDE HYDROIODIDE
methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate
C15H18F3NO4 (333.11878640000003)
2-(4-AMINOPHENYL)-6-NITRO-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE
2-(3-Bromo-2-oxopropyl)-3-methoxy-1-piperidinecarboxylic acid 2-propenyl ester
C13H20BrNO4 (333.0575620000001)
boc-(s)-3-amino-3-(2,4-dichloro-phenyl)-propionic acid
C14H17Cl2NO4 (333.0534582000001)
(1S,3R)-2,2-dichloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropanecarboxamide
N,N-Bis(4-chlorobenzyl)-1H-1,2,3,4-tetraazol-5-amine
4-[1-(2,6-Dichlorobenzyl)-2-Methyl-1h-Imidazol-4-Yl]pyrimidin-2-Amine
4-(5,11-Dioxo-5H-indeno[1,2-C]isoquinolin-6(11H)-YL)butanoate
C20H15NO4 (333.10010300000005)
Picibanil
C308 - Immunotherapeutic Agent > C210 - Immunoadjuvant > C2141 - Chemo Immunostimulant Adjuvant D000970 - Antineoplastic Agents C2140 - Adjuvant
N-(4-chloro-2-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
(RS)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)pyrimidine-2,4-dione
ethyl 2-(furan-2-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
C17H19NO4S (333.10347340000004)
1-[(3-Chlorophenyl)methyl]-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-one
2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile
C21H13F2NO (333.09651520000006)
Ethanamine, 2-((R)-(4-bromophenyl)phenylmethoxy)-N,N-dimethyl-
C17H20BrNO (333.07281700000004)
3-(1-Benzotriazolylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
N-(4-methyl-2-thiazolyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]acetamide
C13H11N5O2S2 (333.03541459999997)
2-{3-nitroanilino}-N-({5-nitro-2-furyl}methylene)acetohydrazide
N-[3-(7-methyl-2-imidazo[1,2-a]pyridinyl)phenyl]-2-thiophenecarboxamide
C19H15N3OS (333.09357800000004)
Ethanamine, 2-((S)-(4-bromophenyl)phenylmethoxy)-N,N-dimethyl-
C17H20BrNO (333.07281700000004)
Benzene, 1,2,3,4,5-pentafluoro-6-((3-methyl-4-nitrophenoxy)methyl)-
C14H8F5NO3 (333.04243180000003)
1-(5-Chloro-2,4-Dimethoxyphenyl)-3-(5-Cyanopyrazin-2-Yl)urea
C14H12ClN5O3 (333.06286320000004)
d-[3-Hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-n,o-cycloserylamide
6900-99-8
C20H15NO4 (333.10010300000005)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents
beta-nicotinate D-ribonucleotide
C11H12NO9P (333.02496720000005)
beta-nicotinate d-ribonucleotide is a member of the class of compounds known as nicotinic acid nucleotides. Nicotinic acid nucleotides are pyridine nucleotides, in which the pyridine base is nicotinic acid or a derivative thereof. beta-nicotinate d-ribonucleotide is soluble (in water) and a moderately acidic compound (based on its pKa). beta-nicotinate d-ribonucleotide can be found in a number of food items such as asian pear, common verbena, small-leaf linden, and pepper (spice), which makes beta-nicotinate d-ribonucleotide a potential biomarker for the consumption of these food products. β-nicotinate d-ribonucleotide is a member of the class of compounds known as nicotinic acid nucleotides. Nicotinic acid nucleotides are pyridine nucleotides, in which the pyridine base is nicotinic acid or a derivative thereof. β-nicotinate d-ribonucleotide is soluble (in water) and a moderately acidic compound (based on its pKa). β-nicotinate d-ribonucleotide can be found in a number of food items such as asian pear, common verbena, small-leaf linden, and pepper (spice), which makes β-nicotinate d-ribonucleotide a potential biomarker for the consumption of these food products.
1-Tert-butyl-3-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
(6R)-6-[(2-Chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid
C13H13ClFNO4S (333.02378200000004)
1-[3,4-Dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylate
C11H12NO9P-2 (333.02496720000005)
nicotinic acid mononucleotide
C11H12NO9P-2 (333.02496720000005)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-carbamoyl-1-(5-O-phosphonato-beta-D-ribofuranosyl)pyridinium
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2R)-2,3-dihydroxypropyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
7-Imino-5-methyl-3-sulfophenazine-1-carboxylic acid
C14H11N3O5S (333.04193960000003)
Oxonorfloxacin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
[3-(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)-2,3-dihydroxypropyl] phosphate
2-cyano-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]acetohydrazide
1-[5-[4-(Methylthio)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
5-(2-Furanyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole
C19H15N3O3 (333.11133600000005)
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine
C17H17F2N3S (333.11111860000005)
Glu-Glu-Gly
A tripeptide composed of two L-glutamic acid and one glycine residues joined in sequence.
(2S)-2-{[(2-benzyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]amino}-3-methyl-3-sulfanylbutanoate
3-methyl-N,6-diphenyl-2-imidazo[2,1-b]thiazolecarboxamide
C19H15N3OS (333.09357800000004)
2-[2-[[1-(4-Chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]ethoxy]ethanol
C15H16ClN5O2 (333.09924659999996)
2-[4-(4-Chloro-2-nitrophenyl)-1-piperazinyl]phenol
C16H16ClN3O3 (333.08801359999995)
1-(3-Chlorophenyl)-3-[2-(dimethylamino)-2-phenylethyl]thiourea
C17H20ClN3S (333.1066390000001)
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide
3-Pyridinecarboxylic acid [2-(2-furanyl)-4-oxo-1-benzopyran-3-yl] ester
N-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)-2-benzofurancarboxamide
C17H13ClFNO3 (333.0567950000001)
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
C19H15N3OS (333.09357800000004)
2-(1H-benzimidazol-2-ylthio)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
1-(2-Benzofuranyl)-2-[(4-methyl-2-quinolinyl)thio]ethanone
C20H15NO2S (333.08234500000003)
N-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide
C14H11N3O3S2 (333.02418159999996)
7-methoxy-N-(3-pyridinylmethyl)-2-furo[2,3-b]quinolinecarboxamide
C19H15N3O3 (333.11133600000005)
1-(3-Methylphenyl)-3-[[oxo-(5-propyl-3-thiophenyl)methyl]amino]thiourea
2-Chloro-5-methyl-1-oxo-3-phenyl-4-pyrido[1,2-a]benzimidazolecarbonitrile
2-[(7-Ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)thio]acetic acid propan-2-yl ester
C17H19NO4S (333.10347340000004)
N-(1-cyano-4-piperidinyl)-4-(trifluoromethyl)benzenesulfonamide
C13H14F3N3O2S (333.07587800000005)
(2E,5Z)-2-(3,3-dimethyl-2-oxo-butylidene)-5-[(3-hydroxy-4-methoxy-phenyl)methylene]thiazolidin-4-one
C17H19NO4S (333.10347340000004)
(2,3,4-Triacetyloxy-5-amino-5-oxopentyl) acetate
C13H19NO9 (333.10597640000003)
1-[4-[4-(Methylthio)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
(2S)-5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one
[4-Chloro-3-(2-methylphenyl)imino-5-oxooxolan-2-yl] furan-2-carboxylate
N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
Chelerythrine
C20H15NO4 (333.10010300000005)
Norchelerythrine is a benzophenanthridine alkaloid. Norchelerythrine is a natural product found in Zanthoxylum beecheyanum, Zanthoxylum scandens, and other organisms with data available. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents
bromazine
C17H20BrNO (333.07281700000004)
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AA - Aminoalkyl ethers C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
nicotinate D-ribonucleotide(2-)
C11H12NO9P (333.02496720000005)
Dianion of nicotinic acid D-ribonucleotide arising from deprotonation of carboxylic acid and phosphate functions.
7,8-Dihydroneopterin 3-phosphate(2-)
Dianion of 7,8-dihydroneopterin 3-phosphate arising from deprotonation of phosphate functions.
7-demethylmitomycin B(2-)
A phenolate anion obtained by removal of two protons from position C-8 and O-6 of 7-demethylmitomycin B. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
7-demethylmitomycin A(2-)
A phenolate anion obtained by removal of two protons from position C-8 and O-6 of 7-demethylmitomycin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
1-(sn-glycero-3-O-phosphonato)-1D-myo-inositol
An inositol phosphate oxoanion obtained by deprotonation of the free phosphate OH group of 1-(sn-glycero-3-phospho)-1D-myo-inositol; major species at pH 7.3.
B-Raf IN 15
C19H15N3OS (333.09357800000004)
B-Raf IN 15 (Compound 7) is a BRAF inhibitor. B-Raf IN 15 inhibits BRAF WT and BRAF V600E with IC50s of 2.0 and 0.8 μM. B-Raf IN 15 can be used for the research of cancer[1].
7-methoxy-6'-methyl-3'-oxaspiro[isoindole-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(12'),4',6',8',10'-pentaene-3,11'-diol
C20H15NO4 (333.10010300000005)
15,16-dimethoxy-11-azapentacyclo[9.6.2.0²,⁷.0⁸,¹⁹.0¹⁴,¹⁸]nonadeca-1(18),2(7),3,5,8(19),14,16-heptaene-9,10-dione
C20H15NO4 (333.10010300000005)
(3s,6s)-6-(1-hydroxyethyl)-3-(1h-indol-3-ylmethyl)-3-(methylsulfanyl)-6h-pyrazine-2,5-diol
C16H19N3O3S (333.11470640000005)
2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione
C16H15NO7 (333.08484799999997)
{3-[(2r,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl}sulfanylcarbamic acid
C11H15N3O7S (333.06306800000004)
n-[(1z)-2-[(4as,6s,8ar)-6-chloro-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]ethenyl]-1-chloromethanecarbonimidoyl chloride
C16H22Cl3N (333.08177420000004)
n-[(1e)-2-[(4ar,6s,8ar)-6-chloro-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]ethenyl]-1-chloromethanecarbonimidoyl chloride
C16H22Cl3N (333.08177420000004)
15-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
C20H15NO4 (333.10010300000005)
(2e)-3-({5,6-dihydroxy-3-methyl-2-oxo-4-[(1e)-prop-1-en-1-yl]-1-benzofuran-3-yl}-c-hydroxycarbonimidoyl)prop-2-enoic acid
C16H15NO7 (333.08484799999997)
2,18-dihydroxy-7-methoxy-13-methyl-10-azapentacyclo[9.7.1.0²,¹⁰.0³,⁸.0¹⁵,¹⁹]nonadeca-1(19),3(8),4,6,11,13,15,17-octaen-9-one
C20H15NO4 (333.10010300000005)
(4z,7r)-6-hydroxy-7-methyl-4-(phenylmethylidene)-15-oxa-2,5,8-triazatricyclo[8.5.0.0³,⁸]pentadeca-1(10),2,5,11,13-pentaen-9-one
C19H15N3O3 (333.11133600000005)
1-chloro-n-[2-(6-chloro-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-2-yl)ethenyl]methanecarbonimidoyl chloride
C16H22Cl3N (333.08177420000004)
(1z,4r)-3,10-dihydroxy-4-methyl-1-(phenylmethylidene)-4h-pyrazino[2,1-b]quinazolin-6-one
C19H15N3O3 (333.11133600000005)
{3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl}sulfanylcarbamic acid
C11H15N3O7S (333.06306800000004)
(2s)-2-amino-3-[4-(3,4,5-trihydroxybenzoyloxy)phenyl]propanoic acid
C16H15NO7 (333.08484799999997)
15,16-dimethoxy-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-nonaene
C20H15NO4 (333.10010300000005)
6-(1-hydroxyethyl)-3-(1h-indol-3-ylmethyl)-3-(methylsulfanyl)-6h-pyrazine-2,5-diol
C16H19N3O3S (333.11470640000005)
5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2(10),3,8,11,14(22),15,17(21),23-nonaen-23-ol
17-methoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,19-octaen-18-one
C20H15NO4 (333.10010300000005)
8,9-dimethoxy-4,6-dioxa-15-azapentacyclo[11.8.0.0²,¹⁰.0³,⁷.0¹⁶,²¹]henicosa-1(13),2(10),3(7),8,11,14,16(21),17,19-nonaene
C20H15NO4 (333.10010300000005)
12-methyl-5,7,17,19-tetraoxa-12-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene
C20H15NO4 (333.10010300000005)
3-{[5,6-dihydroxy-3-methyl-2-oxo-4-(prop-1-en-1-yl)-1-benzofuran-3-yl]-c-hydroxycarbonimidoyl}prop-2-enoic acid
C16H15NO7 (333.08484799999997)
18-hydroxy-17-methoxy-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
C19H15N3O3 (333.11133600000005)
(11s,12r)-12-hydroxy-11-methoxy-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
C19H15N3O3 (333.11133600000005)
methyl (2s)-3-{[(2r)-2-hydroxy-3-methoxy-3-oxopropyl]sulfanyl}-2-[(3r)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanoate
17-methoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,17,19-octaen-16-one
C20H15NO4 (333.10010300000005)
methyl 2-hydroxy-3-{[3-methoxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-3-oxopropyl]sulfanyl}propanoate
(2s)-2-{[hydroxy(3,4,5-trihydroxyphenyl)methylidene]amino}-3-(4-hydroxyphenyl)propanoic acid
C16H15NO7 (333.08484799999997)
16,17-dimethoxy-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-nonaene
C20H15NO4 (333.10010300000005)
3,10-dihydroxy-4-methyl-1-(phenylmethylidene)-4h-pyrazino[2,1-b]quinazolin-6-one
C19H15N3O3 (333.11133600000005)
(1r)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione
C16H15NO7 (333.08484799999997)
(2e)-3-{[(3s)-5,6-dihydroxy-3-methyl-2-oxo-4-[(1e)-prop-1-en-1-yl]-1-benzofuran-3-yl]-c-hydroxycarbonimidoyl}prop-2-enoic acid
C16H15NO7 (333.08484799999997)
4-methoxy-6'-methyl-3'-oxaspiro[isoindole-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(12'),4',6',8',10'-pentaene-3,11'-diol
C20H15NO4 (333.10010300000005)
6-hydroxy-7-methyl-4-(phenylmethylidene)-15-oxa-2,5,8-triazatricyclo[8.5.0.0³,⁸]pentadeca-1(10),2,5,11,13-pentaen-9-one
C19H15N3O3 (333.11133600000005)