Metabolite List

metabolites which its exact mass nearly 518.1213 with tolerance error 0.01 da.

Alisertib (BioCAD00000177756)
Formula: C27H20ClFN4O4 (Exact Mass: 518.1157)

An organic heterotricyclic compound that is 5H-pyrimido[5,4-d][2]benzazepine substituted by (4-carboxy-3-methoxyphenyl)amino, 2-fluoro-6-methoxyphenyl, and chloro groups at positions 2, 7 and 9, respectively. It is an aurora A kinase inhibitor (IC50 = ~1 nM)." []

blood
5-[(E)-3-[3-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-1,3-thiazolidine-2,4-dione (BioCAD00000623595)
Formula: C25H21F3N2O5S (Exact Mass: 518.1123)

(3,5-dichlorophenyl)methyl 3-[4-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)piperazin-1-yl]pyrrolidine-1-carboxylate (BioCAD00000662481)
Formula: C24H24Cl2N4O5 (Exact Mass: 518.1124)

N-[2-[[4-chloro-6-[4-(3-oxomorpholin-4-yl)anilino]-1,3,5-triazin-2-yl]oxy]ethyl]-4-methylbenzenesulfonamide (BioCAD00000663110)
Formula: C22H23ClN6O5S (Exact Mass: 518.1139)

4-[4-[[5-Cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]benzoic acid (BioCAD00000666199)
Formula: C26H25Cl2FN2O4 (Exact Mass: 518.1175)

sodium;(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[[methylsulfonyl-(9-oxofluoren-4-yl)amino]methyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (BioCAD00000714757)
Formula: C25H23N2NaO7S (Exact Mass: 518.1124)

Ethyl 2-[4-[3,5-bis[(dimethylamino)methyl]-4-hydroxybenzoyl]-2,3-dichlorophenoxy]acetate;hydrochloride (BioCAD00000722450)
Formula: C23H29Cl3N2O5 (Exact Mass: 518.1142)

(S)-6-(3-cyano-6-ethyl-5-fluoro-1-(pyrimidin-2-yl)-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (BioCAD00000748775)
Formula: C23H18F4N6O2S (Exact Mass: 518.1148)

6-(3-cyano-6-ethyl-5-fluoro-1-pyrazin-2-yl-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide (BioCAD00000748787)
Formula: C23H18F4N6O2S (Exact Mass: 518.1148)

6-[3-cyano-5-fluoro-6-methyl-1-(5-methylpyrimidin-2-yl)indol-2-yl]-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide (BioCAD00000748805)
Formula: C23H18F4N6O2S (Exact Mass: 518.1148)

2-[(2-chloro-6-fluorophenyl)amino]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide (BioCAD00000749380)
Formula: C25H19ClF4N4O2 (Exact Mass: 518.1133)

2-((2-Chloro-6-fluorophenyl)amino)-N-(5-(difluoromethyl)-2-fluorophenyl)-7,7-dimethyl-7,8-dihydro-1H-benzofuro[4,5-d]imidazole-5-carboxamide (BioCAD00000749392)
Formula: C25H19ClF4N4O2 (Exact Mass: 518.1133)

2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (BioCAD00000749404)
Formula: C25H19ClF4N4O2 (Exact Mass: 518.1133)

CNP0234302.1 (BioCAD00001720365)
Formula: C24H26N2O7S2 (Exact Mass: 518.1181)

CNP0378210.1 (BioCAD00001803152)
Formula: C22H27ClO12 (Exact Mass: 518.1191)

CNP0234302.2 (BioCAD00001861808)
Formula: C24H26N2O7S2 (Exact Mass: 518.1181)

CNP0255961.0 (BioCAD00001967668)
Formula: C22H27ClO12 (Exact Mass: 518.1191)

Metabolite_2000065 (BioCAD00002000065)
Formula: C22H27ClO12 (Exact Mass: 518.1191)

Metabolite_2007177 (BioCAD00002007177)
Formula: C22H27ClO12 (Exact Mass: 518.1191)

(5aS)-5c,12c-diacetoxy-7a,14a-bis-methylsulfanyl-(5ar,7at,12ac,14at)-5,5a,7a,8,12,12a,14a,15-octahydro-oxepino[3',4':4',5']pyrrolo[1',2':4,5]pyrazino[1,2-a]indole-7,14-dione|acetylapoaranotin|Bis-dethio-7a,14a-di-(methylmercapto)-O-acetyl-apoaranotin|bisdethiobis(methylthio)acetylapoaranotin|Didethiodi(methylthio)acetylapoaranotin|O-acetyl-S,S'-dimethyl-S,S'-dihydro-apoaranotin (BioCAD00002016003)
Formula: C24H26N2O7S2 (Exact Mass: 518.1181)