Exact Mass: 445.1170138
Exact Mass Matches: 445.1170138
Found 113 metabolites which its exact mass value is equals to given mass value 445.1170138,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dehydroaripiprazole
Dehydroaripiprazole (OPC-14857) is an active metabolite of Aripiprazole. Aripiprazole is an antipsychotic agent and is metabolized by CYP3A4 and CYP2D6 forming mainly Dehydroaripiprazole. Dehydroaripiprazole has with antipsychotic activity equivalent to Aripiprazole[1][2][3].
Lucuminamide
C19H27NO11 (445.15840319999995)
Lucuminamide is found in fruits. Lucuminamide is a constituent of Calocarpum sapota (marmelade plum)
Dibutyryl cyclic 3',5'-cytidine monophosphate
Dehydroaripiprazole
Dehydroaripiprazole (OPC-14857) is an active metabolite of Aripiprazole. Aripiprazole is an antipsychotic agent and is metabolized by CYP3A4 and CYP2D6 forming mainly Dehydroaripiprazole. Dehydroaripiprazole has with antipsychotic activity equivalent to Aripiprazole[1][2][3].
Metopimazine
C22H27N3O3S2 (445.14937520000007)
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
(5R)-3-methyl-2(5H)furanone-(5->6)-(6S)-5,6-dihydrochelerythrine|maclekarpine A
Metopimazine
C22H27N3O3S2 (445.14937520000007)
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
Lucuminamide
C19H27NO11 (445.15840319999995)
[(1S)-1-[[(2-Fluoro-6-nitrobenzoyl)phenylamino]carbonyl]propyl]carbamic acid 1,1-dimethylethyl ester
1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium chloride
Thiazolidine, 3-(1-naphthalenylsulfonyl)-2-(2,4,5-trimethoxyphenyl)- (9CI)
3-[[[(2S,4S)-4-Mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidinyl]carbonyl]amino]benzoic acid
C20H19N3O7S (445.09436640000007)
Paroxetine maleate
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
1-Butanone,1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-,hydrochloride (1:1)
Thiazolidine, 2-(2,3-dihydro-1H-phenalen-6-yl)-3-(1-naphthalenylsulfonyl)- (9CI)
6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile
C24H20ClN5O2 (445.13054500000004)
spiclomazine
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Spiclomazine (Clospirazine) is a potent mutant KRAS(G12C) inhibitor that selectively inhibits mutant KRAS-driven pancreatic cancer. Spiclomazine can eliminate KRas-GTP levels in KRAS-driven pancreatic cancer and effectively inhibit RAS-mediated signaling. Spiclomazine significantly inhibits tumor progression in mouse renal capsule xenotransplantation models[1].
(S)-tert-butyl 1-(5-bromopyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-ylcarbamate
Thiopropazate
C23H28ClN3O2S (445.15906580000006)
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AB - Phenothiazines with piperazine structure C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Thiazol-5-ylmethyl (2R,5R)-5-amino-1,6-diphenylhexan-2-ylcarbamate hydrochloride
C23H28ClN3O2S (445.15906580000006)
basmisanil
C21H20FN3O5S (445.11076420000006)
C78272 - Agent Affecting Nervous System Basmisanil (RG1662) is a highly selective orally active α subunit-containing GABAA receptors (GABAAα5) negative allosteric modulator (NAMs). Basmisanil can inhibit GABAA-α5 with a Ki value of 5 nM and IC50 value of 8 nM, respectively. Basmisanil can be used for the research of multiple cognitive and psychiatric disorders[1].
2-[[Methyl[(3S)-3-(1-naphthalenyloxy)-3-(2-thienyl)propyl]amino]carbonyl]benzoic Acid
C26H23NO4S (445.13477180000007)
ethyl 5-(benzyloxy)-6-broMo-2-(3-hydroxypropyl)-1-Methyl-1H-indole-3-carboxylate
C22H24BrNO4 (445.08886040000004)
Loxapine succinate
C22H24ClN3O5 (445.14044040000005)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Loxapine succinate is an orally active dopamine inhibitor, 5-HT receptor antagonist and also a dibenzoxazepine anti-psychotic agent. Loxapine can also suppresses bacterial efflux pump activity and inhibit intracellular multiple-antibiotic-resistant Salmonella enterica serovar Typhimurium in macrophages[1][4][6].
4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
C21H19F4N7 (445.16379820000003)
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor
N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide
C19H18F3NO6S (445.08068840000004)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors
(1s,6r)-3-{[3-(Trifluoromethyl)-5,6-Dihydro[1,2,4]triazolo[4,3-A]pyrazin-7(8h)-Yl]carbonyl}-6-(2,4,5-Trifluorophenyl)cyclohex-3-En-1-Amine
D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
Cerlapirdine hydrochloride
C22H24ClN3O3S (445.12268240000003)
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
4-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
C24H19N3O6 (445.12737940000005)
N-(9-ethyl-3-carbazolyl)-2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetamide
3-amino-6-benzyl-N-(2-fluorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
C22H15F4N3OS (445.08719080000003)
[9-(Benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone
C25H19NO5S (445.0983884000001)
4-Hydroxy-3-[2-oxo-3-(thieno[3,2-B]pyridine-2-sulfonylamino)-pyrrolidin-1-ylmethyl]-benzamidine
(S)-2-(Phosphonoxy)caproyl-L-leucyl-P-nitroanilide
C18H28N3O8P (445.16139380000004)
N-[4-Chloro-3-(pyridin-3-yloxymethyl)-phenyl]-3-fluoro-
C23H25ClFN3O3 (445.15683820000004)
Baicalin(1-)
C21H17O11- (445.07708319999995)
The carbohydrate acid derivative anion that is the conjugate base of baicalin.
(6R,7S)-7-[[(5R)-5-azaniumyl-5-carboxylatopentanoyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
C16H21N4O9S- (445.10291960000006)
N-[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(methylthio)-1,3-benzothiazol-6-amine
N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide
C25H20FN3O2S (445.12601920000003)
2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]-N-pyridin-3-ylacetamide
C20H19N3O5S2 (445.07660840000005)
N-(2,3-dihydro-1H-inden-5-yl)-2-[(6-fluoro-4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide
C25H20FN3O2S (445.12601920000003)
N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-fluoro-4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide
C25H20FN3O2S (445.12601920000003)
O-(pantetheine-4-phosphoryl)serine
C14H28N3O9PS (445.12838080000006)
A serine derivative in which L-serine is substituted on oxygen by a pantetheine 4-phosphate group.
2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide
C20H20FN5O4S (445.12199720000007)
biochanin A 7-O-beta-D-glucoside(1-)
C22H21O10- (445.11346660000004)
A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of biochanin A 7-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Methyl 3-[(diphenylacetyl)amino]-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxylate
C24H19N3O4S (445.1096214000001)
N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
C24H19N3O4S (445.1096214000001)
2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}-7-methoxyfuro[2,3-b]quinoline
C25H23N3O5 (445.16376280000003)
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
C21H23N3O6S (445.13074980000005)
[5-[2-(3,4-Dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate
C25H23N3O5 (445.16376280000003)
2-(2,6-Difluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)thiazolidin-4-one
C25H17F2N3OS (445.10603360000005)
(2S,4S)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
C22H24BrNO4 (445.08886040000004)
N-[(E)-[3-(1-Benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-indole-3-carboxamide
1-epijosephinine Trifluoroacetic acid
C20H22F3NO7 (445.13482980000003)
A natural product found in Crinum asiaticum var. sinicum.
N-[4-(4-methylphenyl)-2-thiazolyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide
2-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine butanedioic acid
C22H24ClN3O5 (445.14044040000005)
(3aS,4S,9bR)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo(5-thiazolyl)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
C21H23N3O6S (445.13074980000005)
(3aS,4R,9bR)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(3aR,4S,9bS)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-N-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
4-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
C22H24ClN3O3S (445.12268240000003)
BPTU
BPTU (BMS-646786) is a non-nucleotide P2Y1 receptor allosteric antagonist with antithrombotic activity. BPTU is able to block the P2Y1 receptor located at the neuromuscular junction of the gastrointestinal tract[1][2].
Quipazine (dimaleate)
Quipazine dimaleate is a 5-HT agonist with a Ki value of 1.4 nM for displaces [3H]GR65630 from 5-HT3R in rat. Quipazine dimaleate shows antiviral activity against SARS-CoV-2 with an EC50 of 31.64 μM. Quipazine dimaleate behaves as a 5-HT3R antagonist in peripheral models. Quipazine dimaleate can be used for neurological disease research[1][2][3][4].
(6r,7s)-3-[(acetyloxy)methyl]-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C17H23N3O9S (445.1154948000001)
6-[(2r,4r,5s,6r)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-5-hydroxy-1-[(1r)-1-hydroxyethyl]-3-methylnaphtho[2,3-c]thiophene-4,9-dione
C23H27NO6S (445.1559002000001)
(6r,7s)-3-[(acetyloxy)methyl]-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C17H23N3O9S (445.1154948000001)
[(z)-(6-oxo-1-{[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}nonylidene)amino]oxysulfonic acid
C15H27NO10S2 (445.10763219999995)
[2-hydroxy-13-methyl-4-(3-methylbutyl)-11,14,17-trioxo-5-oxa-15-thia-13-azatetracyclo[8.7.0.0³,⁸.0¹²,¹⁶]heptadeca-1(10),2,8,12(16)-tetraen-6-yl]acetic acid
C22H23NO7S (445.11951680000004)
6-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-5-hydroxy-1-(1-hydroxyethyl)-3-methylnaphtho[2,3-c]thiophene-4,9-dione
C23H27NO6S (445.1559002000001)
3-(aziridin-2-yl)-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-2,4,4a,5-tetrahydrotetraphene-1,6-dione
(4r,5s,6r)-6-[(s)-[(3s,4r,5r)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
[(4r,6s)-2-hydroxy-13-methyl-4-(3-methylbutyl)-11,14,17-trioxo-5-oxa-15-thia-13-azatetracyclo[8.7.0.0³,⁸.0¹²,¹⁶]heptadeca-1(10),2,8,12(16)-tetraen-6-yl]acetic acid
C22H23NO7S (445.11951680000004)
(5r)-5-[(20s)-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl]-3-methyl-5h-furan-2-one
7-hydroxy-2-{[(3r)-11-hydroxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaen-3-yl]methyl}-5-(2-oxopropyl)chromen-4-one
(2r)-2-phenyl-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}ethanimidic acid
C19H27NO11 (445.15840319999995)
(4s,5s,6s)-6-[(r)-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
(3r,4s,5r)-2-[(2s,3s,4r,5r)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-2-(methylsulfanyl)oxolan-3-yl]oxane-3,4,5-triol
(3r,4as,12br)-3-[(2s)-aziridin-2-yl]-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-2,4,4a,5-tetrahydrotetraphene-1,6-dione
3-[(acetyloxy)methyl]-7-[(5-amino-5-carboxy-1-hydroxypentylidene)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C17H23N3O9S (445.1154948000001)
5-{17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl}-3-methyl-5h-furan-2-one
2,5-dimethyl 3,4-bis(5-hydroxy-1h-indol-3-yl)-1h-pyrrole-2,5-dicarboxylate
C24H19N3O6 (445.12737940000005)