Exact Mass: 231.0895388
Exact Mass Matches: 231.0895388
Found 500 metabolites which its exact mass value is equals to given mass value 231.0895388,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fenfluramine
A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics C78272 - Agent Affecting Nervous System > C29728 - Anorexiant D049990 - Membrane Transport Modulators KEIO_ID F016; [MS2] KO009107 KEIO_ID F016
(S)-2-acetamido-6-oxopimelic acid
(S)-2-acetamido-6-oxopimelic acid is an oxo dicarboxylic acid, a N-acyl-amino acid and a dicarboxylic fatty acid. It is functionally related to a (S)-2-amino-6-oxopimelic acid. It is a conjugate acid of a (S)-2-acetamido-6-oxopimelate(2-).
N2-Succinyl-L-glutamic acid 5-semialdehyde
N2-Succinyl-L-glutamic acid 5-semialdehyde is a substrate for Succinate semialdehyde dehydrogenase (mitochondrial) and Ornithine aminotransferase (mitochondrial). It can be found in Escherichia (UniProt). N2-Succinyl-L-glutamic acid 5-semialdehyde is a substrate for Succinate semialdehyde dehydrogenase (mitochondrial) and Ornithine aminotransferase (mitochondrial). [HMDB]
Indeloxazine
C14H17NO2 (231.12592220000002)
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants Same as: D08077
TRIAZIQUONE
C12H13N3O2 (231.10077180000002)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
4-Formamidoantipyrine
C12H13N3O2 (231.10077180000002)
A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a formaylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It is a metabolite of aminophenazone. CONFIDENCE standard compound; INTERNAL_ID 2701 CONFIDENCE standard compound; INTERNAL_ID 4113 CONFIDENCE standard compound; EAWAG_UCHEM_ID 1038 CONFIDENCE standard compound; INTERNAL_ID 2006
Isocarboxazid
C12H13N3O2 (231.10077180000002)
Isocarboxazid is only found in individuals that have used or taken this drug. It is an MAO inhibitor that is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in the treatment of panic disorder and the phobic disorders. (From AMA, Drug Evaluations Annual, 1994, p311). Isocarboxazid works by irreversibly blocking the action of a chemical substance known as monoamine oxidase (MAO) in the nervous system. MAO subtypes A and B are involved in the metabolism of serotonin and catecholamine neurotransmitters such as epinephrine, norepinephrine, and dopamine. Isocarboxazid, as a nonselective MAO inhibitor, binds irreversibly to monoamine oxidase–A (MAO-A) and monoamine oxidase–B (MAO-B). The reduced MAO activity results in an increased concentration of these neurotransmitters in storage sites throughout the central nervous system (CNS) and sympathetic nervous system. This increased availability of one or more monoamines is the basis for the antidepressant activity of MAO inhibitors. N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AF - Monoamine oxidase inhibitors, non-selective D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
Dexfenfluramine
Dexfenfluramine, also marketed under the name Redux, is a serotoninergic anorectic drug. It was for some years in the mid-1990s approved by the United States Food and Drug Administration for the purposes of weight loss. However, following multiple concerns about the cardiovascular side-effects of the drug, such approval was withdrawn. A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics C78272 - Agent Affecting Nervous System > C29728 - Anorexiant D049990 - Membrane Transport Modulators
1-(m-Methoxycinnamoyl)pyrrolidine
C14H17NO2 (231.12592220000002)
1-(m-Methoxycinnamoyl)pyrrolidine is found in beverages. 1-(m-Methoxycinnamoyl)pyrrolidine is an alkaloid from the roots of kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Alkaloid from the roots of kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). 1-(m-Methoxycinnamoyl)pyrrolidine is found in beverages.
Asparaginyl-Valine
Asparaginyl-Valine is a dipeptide composed of asparagine and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Valylasparagine
Valylasparagine is a dipeptide composed of valine and asparagine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Isovalerylglutamic acid
C10H17NO5 (231.11066720000002)
Isovalerylglutamic acid is an unusual mtabolite that has been found in the urine of patients with Isovaleric Acidemia due to Isovaleryl-CoA Dehydrogenase Deficiency (OMMBID: The Metabolic and Molecular Bases of Inherited Disease, Ch.93: Branched Chain Organic Acidurias). and in Multiple acyl-Co A dehydrogenation deficiency (MADD) (PMID 6862997). Isovalerylglutamate is a biomarker for the consumption of cheese. Isovalerylglutamic acid is an unusual mtabolite that has been found in the urine of patients with Isovaleric Acidemia due to Isovaleryl-CoA Dehydrogenase Deficiency (OMMBID: The Metabolic and Molecular Bases of Inherited Disease, Ch.93: Branched Chain Organic Acidurias)
Suberylglycine
C10H17NO5 (231.11066720000002)
Suberylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine < -- > CoA + N-acylglycineSuberylglycine is a dicarboxylic acid. It is formed by glycine-N-acylase catalyzed conjugation (PMID 947635). It can be used for the diagnosis of hereditary medium-chain acyl-CoA dehydrogenase deficiency (PMID 2775902). Suberylglycine is found to be associated with propionic acidemia, which is an inborn error of metabolism. Suberylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:
(+/-)-(E)-Methyl-2-[(E)-hydroxyimino]-5-nitro-6-methoxy-3-hexeneamide
4-Formylaminoantipyrine
C12H13N3O2 (231.10077180000002)
(2S)-2-Amino-7-(1-aminoethylideneamino)-5-sulfanylideneheptanoic acid
L-Proline, 1-(2-methyl-3-(methylthio)-1-oxopropyl)-, (S)-
5-(3-Aminopropylphosphanyloxy)-2-(hydroxymethyl)pyran-4-one
D020011 - Protective Agents > D000975 - Antioxidants
indole-3-acetyl-glycine
Indole-3-acetyl-glycine is also known as iaa-gly. Indole-3-acetyl-glycine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-glycine can be found in a number of food items such as pistachio, red rice, star anise, and redcurrant, which makes indole-3-acetyl-glycine a potential biomarker for the consumption of these food products.
Piperlotine A
C14H17NO2 (231.12592220000002)
Piperlotine A is a natural product found in Piper lolot and Piper sarmentosum with data available.
1-pentyl-1H-indole-3-carboxylic acid
C14H17NO2 (231.12592220000002)
7-DIETHYLAMINO-4-METHYLCOUMARIN
C14H17NO2 (231.12592220000002)
CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9213; ORIGINAL_PRECURSOR_SCAN_NO 9212 CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9233; ORIGINAL_PRECURSOR_SCAN_NO 9232 CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9257; ORIGINAL_PRECURSOR_SCAN_NO 9255 CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9269; ORIGINAL_PRECURSOR_SCAN_NO 9268 CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9251; ORIGINAL_PRECURSOR_SCAN_NO 9250 CONFIDENCE standard compound; INTERNAL_ID 432; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9278; ORIGINAL_PRECURSOR_SCAN_NO 9276 CONFIDENCE standard compound; INTERNAL_ID 2483 CONFIDENCE standard compound; INTERNAL_ID 64 CONFIDENCE standard compound; INTERNAL_ID 8843
N-(8-methoxy-4-methylquinazolin-2-yl)guanidine
C11H13N5O (231.11200480000002)
5-hydroxy-5-(1H-indol-3-yl)imidazolidine-2,4-dione
C11H9N3O3 (231.06438839999998)
(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
C14H17NO2 (231.12592220000002)
Acetic acid [2-methyl-4-oxoquinolin-1(4H)-yl]methyl ester
2-hydroxy-1-(1H-indol-3-yl)-4-methylpentan-3-one
C14H17NO2 (231.12592220000002)
bruceolline I
An indole alkaloid that is 1,2,3,4-tetrahydrocyclopenta[b]indole substituted by hydroxy groups at positions 2 and 6, geminal-methyl groups at position 3 and an oxo group at position 1. It has been isolated from the ethanol extract of the stems of Brucea mollis.
3-(2-acetyl-1H-pyrrol-1-yl)-5-(prop-2-yn-1-yl)dihydrofuran-2(3H)-one|longanlactone
3-(2-(4-hydroxyphenyl)-2-oxoethyl)-5,6-dihydropyridin-2(1h)-one
(7S)-5,6-dihydro-4-[(1R)-1-hydroxyethyl]-5H-spiro[cyclopenta[c]pyridine-7,2-furan]-5-one|plumericidine
2-Carbamoyl-3-methoxy-1,4-naphthoquinone|Me ether,amide-3-Hydroxy-1,4-naphthoquinone-2-carbxylic acid
fenfluramine
A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics C78272 - Agent Affecting Nervous System > C29728 - Anorexiant D049990 - Membrane Transport Modulators CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 600 CONFIDENCE standard compound; INTERNAL_ID 2248
C14H17NO2_(2E)-3-(4-Methoxyphenyl)-1-(1-pyrrolidinyl)-2-propen-1-one
C14H17NO2 (231.12592220000002)
Dexfenfluramine
A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
isocarboxazid
C12H13N3O2 (231.10077180000002)
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AF - Monoamine oxidase inhibitors, non-selective D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
Asn-val
A dipeptide formed from L-asparagine and L-valine residues.
Val-asn
A dipeptide formed from L-valine and L-asparagine residues.
m-Methoxycinnamic acid pyrrolidide
C14H17NO2 (231.12592220000002)
2-methoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide
C12H13N3O2 (231.10077180000002)
(4,5-DIHYDRO-THIAZOL-2-YL)-PHENETHYL-AMINE
C12H13N3O2 (231.10077180000002)
1-benzyl-3,3-dimethylpiperidine-2,4-dione
C14H17NO2 (231.12592220000002)
N-ETHOXYCARBONYLMETHYL-N’-CYANO-N-PHENYLFORMAMIDINE
C12H13N3O2 (231.10077180000002)
(S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID HYDROCHLORIDE
4(3H)-Pteridinone,2-amino-5,6,7,8-tetrahydro-6,7-dimethyl-, hydrochloride (1:1)
C8H14ClN5O (231.08868239999998)
3-(2-methylphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
3-(8-azabicyclo[3.2.1]oct-3-yl)benzoic acid
C14H17NO2 (231.12592220000002)
5-Nitro-2-(piperidin-1-yl)benzonitrile
C12H13N3O2 (231.10077180000002)
4-(2,5-DIMETHYL-1H-PYRROL-1-YL)-2-HYDROXYBENZOIC ACID
(R)-N-Boc-Morpholine-3-carboxylic acid
C10H17NO5 (231.11066720000002)
N-BENZYL-5-HYDROXYCYCLOHEX-3-ENECARBOXAMIDE
C14H17NO2 (231.12592220000002)
4-HYDROXY-2-(PHENYLAMINO)PYRIMIDINE-5-CARBOXYLIC ACID
C11H9N3O3 (231.06438839999998)
2-Chloro-N-(2-chloroethyl)-N-methyl-2-phenylethanamine
methyl 1-benzyl-3,6-dihydro-2H-pyridine-5-carboxylate
C14H17NO2 (231.12592220000002)
1-phenyl-3-(piperidin-1-yl)propane-1,3-dione
C14H17NO2 (231.12592220000002)
ethyl 2-(1H-indol-2-yl)-2-methylpropanoate
C14H17NO2 (231.12592220000002)
(1R,2R)-(-)-2-BENZYLOXYCYCLOHEXYL ISOCYANATE
C14H17NO2 (231.12592220000002)
4-ISOXAZOLECARBOXYLIC ACID, 3-METHYL-5-PHENYL-, ETHYL ESTER
(4-Ethoxy-benzyl)-furan-2-ylmethyl-amine
C14H17NO2 (231.12592220000002)
4-(2-methoxyethoxy)pyridine-2-carboximidamide,hydrochloride
ETHYL-5-AMINO-2-PHENYLIMIDAZOLE-4-CARBOXYLATE
C12H13N3O2 (231.10077180000002)
5-amino-4-carbethoxy-1-phenylpyrazole
C12H13N3O2 (231.10077180000002)
1,3-dioxo-2-prop-2-enylisoindole-5-carboxylic acid
N-(4-FLUOROPHENYL)ANTHRANILIC ACID
C13H10FNO2 (231.06955320000003)
Ethyl 3-amino-1-phenyl-1H-pyrazole-4-carboxylate
C12H13N3O2 (231.10077180000002)
methyl 4-(3-fluoropyridin-2-yl)benzoate
C13H10FNO2 (231.06955320000003)
3-AMINO-3-(2,6-DIFLUORO-3-METHOXY-PHENYL)-PROPIONIC ACID
3-AMINO-3-(2,6-DIFLUORO-4-METHOXY-PHENYL)-PROPIONIC ACID
3-AMINO-3-(2-DIFLUOROMETHOXYPHENYL)-PROPIONIC ACID
3-AMINO-3-(4-DIFLUOROMETHOXY-PHENYL)-PROPIONIC ACID
Ethyl-5-amino-1-phenyl-1H-pyrazol-3-carboxylat
C12H13N3O2 (231.10077180000002)
(2-[4-BENZYL-PIPERAZIN-1-YL]-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER
(S)-2-ACETAMIDO-4-(TERT-BUTOXY)-4-OXOBUTANOIC ACID
C10H17NO5 (231.11066720000002)
Methyl 3-AMino-3-(3-hydroxyphenyl)propanoate Hydrochloride
(5-FLUORO-1H-INDAZOL-3-YL)-ACETICACID
C14H14FNO (231.10593659999998)
3-Pyridazinamine, 6-(2-ethoxyphenoxy)-
C12H13N3O2 (231.10077180000002)
Methyl 2-amino-4-phenylpyrimidine-5-carboxylate
C12H13N3O2 (231.10077180000002)
METHYL 4-HYDROXY-7,8-DIMETHYLQUINOLINE-2-CARBOXYLATE
TERT-BUTYL 6-METHYL-1H-INDOLE-1-CARBOXYLATE
C14H17NO2 (231.12592220000002)
(1s,2s)-2-benzyloxycyclohexyl isocyanate
C14H17NO2 (231.12592220000002)
3-((TERT-BUTOXYCARBONYL)AMINO)TETRAHYDROFURAN-3-CARBOXYLIC ACID
C10H17NO5 (231.11066720000002)
4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine
C10H12F3N3 (231.09832679999997)
1-[3-(trifluoromethyl)pyrid-2-yl]piperazine
C10H12F3N3 (231.09832679999997)
3-(4-Nitrophenyl)-5-(prop-1-en-2-yl)-1,2,4-oxadiazole
C11H9N3O3 (231.06438839999998)
1-Benzyl-4-nitro-1H-imidazole-5-carbaldehyde
C11H9N3O3 (231.06438839999998)
benzyl N-cyclohex-2-en-1-ylcarbamate
C14H17NO2 (231.12592220000002)
2-[(1,3-dimethyl-1H-pyrazol-5-yl)amino]Benzoic acid
C12H13N3O2 (231.10077180000002)
1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine
C10H12F3N3 (231.09832679999997)
(2S,3R)-1-(TERT-BUTOXYCARBONYL)-3-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID
C10H17NO5 (231.11066720000002)
7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine,hydrochloride
2-Aminomethyl-5-phenyl-furan-3-carboxylic acid methyl ester hydrochloride
6-(methylamino)hexane-1,2,3,4,5-pentol,hydrochloride
C7H18ClNO5 (231.08734479999998)
tert-Butyl 4-(prop-2-yn-1-ylamino)benzoate
C14H17NO2 (231.12592220000002)
Ethanone,1-(3,4-dihydroxyphenyl)-2-(dimethylamino)-, hydrochloride (1:1)
Imidodicarbonimidicdiamide, N-(2-fluorophenyl)-, hydrochloride (1:1)
2-nitro-5-(1-piperidyl)benzonitrile
C12H13N3O2 (231.10077180000002)
6-AMINO-1-BENZYL-3-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE
C12H13N3O2 (231.10077180000002)
Flumexadol
C11H12F3NO (231.08709379999996)
Flumexadol is a selective and affinity 5-HT2C receptor agonist with a Ki of 25 nM for the (+)-enantiomer of Flumexadol, and is 40-fold selective over the 5-HT2A receptor. Flumexadol is an orally active non-narcotic analgesic[1][2].
(R)-1-(5-(Trifluoromethyl)pyridin-2-yl)pyrrolidin-3-amine
C10H12F3N3 (231.09832679999997)
7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole
N-(2-butylbenzofuran-5-yl)acetamide
C14H17NO2 (231.12592220000002)
4-(3-Isopropyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride
C10H18ClN3O (231.11383279999998)
(2-amino-4,5-dimethylthiophen-3-yl)-phenylmethanone
7-Benzyl-2-oxa-7-azaspiro[4.4]nonan-1-one
C14H17NO2 (231.12592220000002)
3,4-Dimethoxy-N-methylphenethylamine hydrochloride
trans-4-(5-propyl-1,3-dioxan-2-yl)benzonitrile
C14H17NO2 (231.12592220000002)
2-Fluoro-N-methyl-6-phenoxybenzylamine hydrochloride,
C14H14FNO (231.10593659999998)
6-(3-Furanyl)-2-methylpyridine-3-carboxylic acid ethyl ester
(2S,3S)-1-(TERT-BUTOXYCARBONYL)-3-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID
C10H17NO5 (231.11066720000002)
N-tert-Butoxycarbonyl-trans-4-hydroxy-D-proline
C10H17NO5 (231.11066720000002)
1-(4-Trifluoromethyl-pyridin-2-yl)-piperazine
C10H12F3N3 (231.09832679999997)
(2S,3S)-3-Amino-2-Hydroxy-4-Phenylbutyric Acid Hydrochloride
4-Chloro-6-(dimethylamino)-3-quinolinecarbonitrile
2-amino-1-(2,5-dimethoxyphenyl)ethanone hydrochloride
2-Pyridinethiol,1,4-dihydro-4,4,6-trimethyl-1-phenyl-
3-(2-NITRO-BENZYL)-3H-IMIDAZOLE-4-CARBALDEHYDE
C11H9N3O3 (231.06438839999998)
3-(3-NITRO-BENZYL)-3H-IMIDAZOLE-4-CARBALDEHYDE
C11H9N3O3 (231.06438839999998)
3-(4-NITRO-BENZYL)-3H-IMIDAZOLE-4-CARBALDEHYDE
C11H9N3O3 (231.06438839999998)
3-benzyl-5-nitroimidazole-4-carbaldehyde
C11H9N3O3 (231.06438839999998)
5-[4-(1-METHYLETHYL)PHENYL]-3-ISOXAZOLECARBOXYLIC ACID
2-[4-(Trifluoromethyl)phenyl]morpholine
C11H12F3NO (231.08709379999996)
1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOLE-4-CARBALDEHYDE OXIME
C12H13N3O2 (231.10077180000002)
4-ALLYL-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
3-[4-(trifluoromethyl)phenoxy]pyrrolidine
C11H12F3NO (231.08709379999996)
N-(2-FLUOROPHENYL)ANTHRANILIC ACID
C13H10FNO2 (231.06955320000003)
2-BENZYLHEXAHYDROPYRANO[3,4-C]PYRROL-4(2H)-ONE
C14H17NO2 (231.12592220000002)
3-(DIMETHYLAMINO)-4-METHOXYBENZOIC ACID HYDROCHLORIDE
7-Benzyl-1-oxa-7-azaspiro[4.4]nonan-2-one
C14H17NO2 (231.12592220000002)
3-(Cyanomethyl)-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
C11H9N3O3 (231.06438839999998)
2-imidazol-1-yl-1-(4-nitrophenyl)ethanone
C11H9N3O3 (231.06438839999998)
7-Morpholin-4-yl-3H-quinazolin-4-one
C12H13N3O2 (231.10077180000002)
Lorcaserin HCl
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
3-(2,5-DIMETHYL-PYRROL-1-YL)-4-HYDROXY-BENZOIC ACID
1-azabicyclo[2.2.2]octan-3-yl benzoate
C14H17NO2 (231.12592220000002)
N-Ethyl-N-(5-formyl-furan-2-ylmethyl)-methanesulfonamide
2-(Piperidin-4-yl)-5-(pyrazin-2-yl)-1,3,4-oxadiazole
C11H13N5O (231.11200480000002)
BENZYL 4-OXO-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
(2s,3r)-3-amino-2-hydroxy-4-phenylbutyric acid hydrochloride
1-BENZYL-5-NITRO-1H-IMIDAZOLE-4-CARBALDEHYDE
C11H9N3O3 (231.06438839999998)
1-[2-(4-FLUOROPHENOXY)PHENYL]-N-METHYLMETHYLAMINE
C14H14FNO (231.10593659999998)
TERT-BUTYL 2-ISOCYANO-3-PHENYLPROPIONATE
C14H17NO2 (231.12592220000002)
2-AMINO-6-ISOPROPYL-4-OXO-4H-CHROMENE-3-CARBALDEHYDE
7-ISOPROPYL-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
C14H17NO2 (231.12592220000002)
5-ISOPROPYL-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
C14H17NO2 (231.12592220000002)
[1,1-biphenyl]-2-ol, compound with 2-aminoethanol (1:1)
C14H17NO2 (231.12592220000002)
Methyl 1-Benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate
C14H17NO2 (231.12592220000002)
6-CHLORO-4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLINEHYDROCHLORIDE
1-[1-(4-Methoxy-benzyl)-1H-[1,2,3]triazol-4-yl]-ethanone
C12H13N3O2 (231.10077180000002)
METHYL (3S)-(+)-3-(1-METHYLINDOL-3-YL)&
C14H17NO2 (231.12592220000002)
(3-ACETYL-PHENYL)-PHOSPHONICACIDDIETHYLESTER
C12H13N3O2 (231.10077180000002)
2-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)pyrazine
C11H13N5O (231.11200480000002)
2-Propenoic acid,2-cyano-3-(4-methoxyphenyl)-, ethyl ester
Methyl (2R)-4-(1H-indol-3-yl)-2-methylbutanoate
C14H17NO2 (231.12592220000002)
1-(Furan-2-ylmethyl)pyrrolidine-2-carboxylic acid hydrochloride
5,6-Difluoro-4-(trimethylsilyl)pyridine-2-carboxylic acid
4-(2,3-EPOXYPROPOXY)-2-METHYL-1(2H)-ISOQUINOLINONE
2-Naphthalenecarboxamide,3-hydroxy-N-(2-hydroxyethyl)-
3-HYDROXYMETHYL-1(2H)-PYRIDINECARBOXYLIC ACID, PHENYL ESTER
2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
1-isopropyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
5-(2,5-DIMETHYL-PYRROL-1-YL)-2-HYDROXY-BENZOIC ACID
Ala-Ala-Ala
A tripeptide composed of three L-alanine units joined by peptide linkages.
trans-2-(4-Cyanophenyl)-5-n-propyl-1,3-dioxane
C14H17NO2 (231.12592220000002)
4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzoic acid
tert-butyl N-(5-chloro-2-methylpyrazol-3-yl)carbamate
benzyl 1-Methyl-1H-imidazol-2-ylcarbamate
C12H13N3O2 (231.10077180000002)
7-benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
C14H17NO2 (231.12592220000002)
9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
C14H17NO2 (231.12592220000002)
Methyl 4-amino-4,5,6,7-tetrahydrobenzofuran-3-carboxylate hydrochloride
2-cyanopyrimidine-5-boronic acid pinacol ester
C11H14BN3O2 (231.11790140000002)
2-(2,4-DIMETHOXYPHENYL)-2-OXOETHANAMINIUM CHLORIDE
3-Quinolinecarboxylicacid, 6-methoxy-, ethyl ester
Ethanol,2,2-(2-naphthalenylimino)bis-
C14H17NO2 (231.12592220000002)
2-AMINO-6,7-DIMETHYL-4-HYDROXY-5,6,7,8-TETRAHYDROPTERIDINE MONOHYDROCHLORIDE
C8H14ClN5O (231.08868239999998)
N-(2-Fluorobenzyl)-3-Methoxyaniline
C14H14FNO (231.10593659999998)
Leucine, 4-fluoro-N-(1-oxo-4-pentenyl)-
C11H18FNO3 (231.12706500000002)
Glycine, N-[(1,1-diMethylethoxy)carbonyl]-N-(2-oxoethyl)-Methyl ester
C10H17NO5 (231.11066720000002)
3-(4-HYDROXY-2-METHYL-QUINOLIN-3-YL)-PROPIONIC ACID
5-ACETOACETYLAMINOBENZOIMIDAZOLONE
C11H9N3O3 (231.06438839999998)
5-[4-(dimethylamino)phenyl]cyclohexane-1,3-dione
C14H17NO2 (231.12592220000002)
2-(4-TRIFLUOROMETHOXY-PHENYL)-PYRROLIDINE
C11H12F3NO (231.08709379999996)
2-[(2,2-DIMETHYL-4-OXO-3,4-DIHYDRO-2H-CHROMEN-7-YL)OXY]ACETONITRILE
Benzyl 4-methylene-1-piperidinecarboxylate
C14H17NO2 (231.12592220000002)
2-(3,4-DIMETHOXY-PHENYL)-2-OXO-ETHYL-AMMONIUM, CHLORIDE
Methyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
TERT-BUTYL 7-METHYL-1H-INDOLE-1-CARBOXYLATE
C14H17NO2 (231.12592220000002)
(3R,4S)-(-)-1-BENZYL-3,4-PYRROLIDINDIOL
C10H17NO5 (231.11066720000002)
2-(2-Oxotetrahydrofuran-3-yl)-1H-isoindole-1,3(2H)-dione
2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)acetonitrile
C14H17NO2 (231.12592220000002)
3-(5-nitropyridin-2-yloxy)-2-methylpyridine
C11H9N3O3 (231.06438839999998)
n-(3-fluorophenyl)anthranilic acid
C13H10FNO2 (231.06955320000003)
morpholine-3,4-dicarboxylic acid 4-tert-butyl ester
C10H17NO5 (231.11066720000002)
5-(3-METHYL-1H-INDAZOL-5-YL)-1,3,4-THIADIAZOL-2-AMINE
1-(TERT-BUTOXYCARBONYL)-5-METHYLINDOLE&
C14H17NO2 (231.12592220000002)
4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde
C13H10FNO2 (231.06955320000003)
3-AMINO-3-(2-HYDROXY-NAPHTHALEN-1-YL)-PROPIONIC ACID
(2-ethoxy-benzyl)-furan-2-ylmethyl-amine
C14H17NO2 (231.12592220000002)
Benzenamine, N,N-bis(2-chloroethyl)-3-methyl- (9CI)
alpha-[1-[(2-Hydroxyethyl)Amino]Ethyl]Benzyl Alcohol Hydrochloride
8-ACETYL-7-METHYL-6H-1,2,5-OXADIAZOLO[3,4-E]INDOL-6-OL
C11H9N3O3 (231.06438839999998)
3-(4,6-Dimethoxypyrimidin-2-yl)aniline
C12H13N3O2 (231.10077180000002)
4-(4,6-Dimethoxypyrimidin-2-yl)aniline
C12H13N3O2 (231.10077180000002)
3-[3-(Trifluoromethyl)phenoxy]pyrrolidine
C11H12F3NO (231.08709379999996)
4-Boc-3(S)-morpholinecarboxylic acid
C10H17NO5 (231.11066720000002)
2,2,2-Trifluoro-N-(4-isopropylphenyl)acetamide
C11H12F3NO (231.08709379999996)
1-[6-(Trifluoromethyl)pyridin-2-yl]piperazine
C10H12F3N3 (231.09832679999997)
SPIRO[CYCLOHEXANE-1,3-INDOLINE]-5-CARBOXYLIC ACID
C14H17NO2 (231.12592220000002)
Farampator
C12H13N3O2 (231.10077180000002)
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Farampator (CX-691;Org24448) is an AMPA receptor positive modulator.
N(2)-succinyl-L-ornithinate(1-)
A dicarboxylic acid monoanion that is the conjugate base of N(2)-succinyl-L-ornithine.
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoic acid
levofenfluramine
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
2-Benzyl-6-hydroxy-2-azabicyclo[2.2.2]octan-3-one
C14H17NO2 (231.12592220000002)
6-Anilino-1,3-dimethylpyrimidine-2,4-dione
C12H13N3O2 (231.10077180000002)
N-propan-2-yl-3-(trifluoromethyl)benzamide
C11H12F3NO (231.08709379999996)
2-(4-Methoxyphenyl)-5-nitropyrimidine
C11H9N3O3 (231.06438839999998)
(2s)-2-(1h-Indol-3-Yl)hexanoic Acid
C14H17NO2 (231.12592220000002)
Indeloxazine
C14H17NO2 (231.12592220000002)
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants Same as: D08077
4-(L-gamma-glutamylamino)Butanoate
Conjugate base of 4-(L-gamma-glutamylamino)butanoic acid.
Nalidixic acid anion
A monocarboxylic acid anion that is the conjugate base of nalidixic acid; major species at pH 7.3.
2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
A member of the class of naphthoates that is 1-naphthoate substituted at positions 2, 5 and 7 by hydroxy, methyl and methoxy groups respectively; major species at pH 7.3.
2-Amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid methyl ester
C12H13N3O2 (231.10077180000002)
4-Methyl-2-[(5-methyl-2-thiophenyl)methylideneamino]phenol
1-(2-Hydroxyethyl)chromeno[3,4-d]triazol-4-one
C11H9N3O3 (231.06438839999998)
1-Spiro[2,4-dihydroisoquinoline-3,1-cyclohexane]thione
2-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)ethanimidamide
C11H13N5O (231.11200480000002)
(2R)-1-(3-mercapto-2,2-dimethyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid
3-(2-Furanyl)-1-(4-methoxyphenyl)-1-propanamine
C14H17NO2 (231.12592220000002)
4,5-Dihydrothiazolo[2,3-d][1,5]benzodiazepin-11-ium-6-carboxaldehyde
C12H11N2OS+ (231.05920559999998)
N-(2-aminoethyl)ethane-1,2-diamine;2-(chloromethyl)oxirane;hydrochloride
(3E)-5-methyl-3-[(N-methylanilino)methylidene]thiophen-2-one
3-amino-7-methoxy-5H-pyrimido[5,4-b]indol-1-ium-4-one
N-(3-Phenylpropionyl)piperidin-2-one
C14H17NO2 (231.12592220000002)
Methyl 5-ethyl-2-phenyl-1-pyrroline-4-carboxylate (4,5-cis)
C14H17NO2 (231.12592220000002)
N-(3,3-Dideutero-3-phenylpropionyl)piperidin-2-one
C14H17NO2 (231.12592220000002)
N-(2,2-Dideutero-3-phenylpropionyl)piperidin-2-one
C14H17NO2 (231.12592220000002)
N-(2,2,3,3-Tetradeutero-3-phenylpropionyl)piperidin-2-one
C14H17NO2 (231.12592220000002)
3-Methyl-6-nitro-1,2,3,4-tetrahydro-gamma-carboline
C12H13N3O2 (231.10077180000002)
3-Methyl-8-nitro-1,2,3,4-tetrahydro-gamma-carboline
C12H13N3O2 (231.10077180000002)
1-(3-Phenylbutanoyl)pyrrolidin-2-one
C14H17NO2 (231.12592220000002)
Methyl 2,3-dimethyl-5-phenyl-1-pyrroline-4-carboxylate (3,4-trans-4,5-cis)
C14H17NO2 (231.12592220000002)
Methyl 2,ref.-4-dimethyl-trans-5-phenyl-1-pyrroline-4-carboxylate
C14H17NO2 (231.12592220000002)
TRIAZIQUONE
C12H13N3O2 (231.10077180000002)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
L-Proline, 1-(2-methyl-3-(methylthio)-1-oxopropyl)-, (S)-
N-succinyl-L-glutamic 5-semialdehyde
A dicarboxylic acid monoamide obtained by the formal condensation of amino group of L-glutamic 5-semialdehyde with one of the carboxy groups of succinic acid.
AGN 192836
C12H13N3O2 (231.10077180000002)
AGN 192836 is a potent and selective α2 adrenergic agonist with EC50s of 8.7, 41 and 6.6 nM for α2A, α2B and α2C receptor, respectively.
2-imino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazolidin-4-one
C12H13N3O2 (231.10077180000002)
(2e)-3-(4-methoxyphenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
C14H17NO2 (231.12592220000002)
(2e)-1-[(2r)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one
C14H17NO2 (231.12592220000002)
2-carbamoyl-3-methoxy-1,4-naphthoquinone
{"Ingredient_id": "HBIN005443","Ingredient_name": "2-carbamoyl-3-methoxy-1,4-naphthoquinone","Alias": "NA","Ingredient_formula": "C12H9NO4","Ingredient_Smile": "NA","Ingredient_weight": "231.2","OB_score": "NA","CAS_id": "144258-80-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8674","PubChem_id": "NA","DrugBank_id": "NA"}
1-[(4s)-4-hydroxy-3,4-dihydro-2h-pyridin-1-yl]-3-phenylpropan-1-one
C14H17NO2 (231.12592220000002)
3-{8-azabicyclo[3.2.1]octan-3-yl}benzoic acid
C14H17NO2 (231.12592220000002)
1-(2-methoxypyrrolidin-1-yl)-3-phenylprop-2-en-1-one
C14H17NO2 (231.12592220000002)
n-[(2e)-3-(2-imino-1,3-dihydroimidazol-4-yl)prop-2-en-1-yl]-1h-pyrrole-2-carboxamide
C11H13N5O (231.11200480000002)
1-(4-hydroxy-3,4-dihydro-2h-pyridin-1-yl)-3-phenylpropan-1-one
C14H17NO2 (231.12592220000002)
2-hydroxy-1-(4-hydroxyphenyl)-5,6,7,7a-tetrahydropyrrolizin-3-one
(2e)-1-[(2s)-2-methoxypyrrolidin-1-yl]-3-phenylprop-2-en-1-one
C14H17NO2 (231.12592220000002)
2-methyl-2-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanenitrile
C10H17NO5 (231.11066720000002)
3-(4-methoxyphenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
C14H17NO2 (231.12592220000002)
2-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanenitrile
C10H17NO5 (231.11066720000002)
(7as)-2-hydroxy-1-(4-hydroxyphenyl)-5,6,7,7a-tetrahydropyrrolizin-3-one
methyl 4-(1h-indol-3-yl)-2-methylbutanoate
C14H17NO2 (231.12592220000002)
(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid
2-(2-hydroxy-5,6-dihydropyridin-3-yl)-1-(4-hydroxyphenyl)ethanone
4-(2h-1,3-benzodioxol-5-ylmethyl)-1-methyl-3h-imidazol-2-imine
C12H13N3O2 (231.10077180000002)
(2z)-3-(4-methoxyphenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
C14H17NO2 (231.12592220000002)
(5z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazolidin-4-one
C12H13N3O2 (231.10077180000002)
3-methoxy-1,4-dioxonaphthalene-2-carboximidic acid
(7s)-4'-[(1r)-1-hydroxyethyl]-5,6-dihydrospiro[cyclopenta[c]pyridine-7,2'-furan]-5'-one
4'-(1-hydroxyethyl)-5,6-dihydrospiro[cyclopenta[c]pyridine-7,2'-furan]-5'-one
1-[(4r)-4-hydroxy-3,4-dihydro-2h-pyridin-1-yl]-3-phenylpropan-1-one
C14H17NO2 (231.12592220000002)
[(8e)-10-hydroxydec-8-en-2,4,6-triynamido]acetic acid
2-(2-isopropylazirin-1-yl)-1-methyl-9h-purin-6-one
C11H13N5O (231.11200480000002)
(2e)-1-(2-methoxypyrrolidin-1-yl)-3-phenylprop-2-en-1-one
C14H17NO2 (231.12592220000002)