CAS Number
Molecular Formula
C45H48ClN7O8S
Product format
Neat
Molecular Weight
882.43
API Family
Synonyms
2097938-69-5; UNII-J0M3UN1DX0; Venetoclax-M27; Venetoclax metabolite M27; Venetoclax metabolite M-27; J0M3UN1DX0; 4-(7-(4-Chlorophenyl)-9, 9-dimethyl-1, 3, 4, 6, 8, 10, 10a, 11a-octahydropyrazino(2, 1-b)(1, 3)benzoxazin-2-yl)-N-(3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl)sulfonyl-2-(1H-pyrrolo(2, 3-b)pyridin-5-yloxy)benzamide; 4-[7-(4-chlorophenyl)-9, 9-dimethyl-1, 3, 4, 6, 8, 10, 10a, 11a-octahydropyrazino[2, 1-b][1, 3]benzoxazin-2-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2, 3-b]pyridin-5-yloxy)benzamide; Benzamide, 4-(7-(4-chlorophenyl)-1, 3, 4, 8, 9, 10, 10a, 11a-octahydro-9, 9-dimethyl-2H, 6H-pyrazino(2, 1-b)(1, 3)benzoxazin-2-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)-2-(1H-pyrrolo(2, 3-b)pyridin-5-yloxy)-; Benzamide, 4-[7-(4-chlorophenyl)-1, 3, 4, 8, 9, 10, 10a, 11a-octahydro-9, 9-dimethyl-2H, 6H-pyrazino[2, 1-b][1, 3]benzoxazin-2-yl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2, 3-b]pyridin-5-yloxy)-; DTXSID901098095; XID93869; Venetoclax Impurity 24; Metabolite M27; 2-((1H-pyrrolo[2, 3-b]pyridin-5-yl)oxy)-4-(7-(4-chlorophenyl)-9, 9-dimethyl-1, 3, 4, 8, 9, 10, 10a, 11a-octahydro-2H, 6H-benzo[e]pyrazino[2, 1-b][1, 3]oxazin-2-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide; Venetoclax-M27; Benzamide, 4-[7-(4-chlorophenyl)-1, 3, 4, 8, 9, 10, 10a, 11a-octahydro-9, 9-dimethyl-2H, 6H-pyrazino[2, 1-b][1, 3]benzoxazin-2-yl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2 and 3-b]pyridin-5-yloxy)- (ACI); 4-[7-(4-Chlorophen
Iupac Name
4-[7-(4-chlorophenyl)-9, 9-dimethyl-1, 3, 4, 6, 8, 10, 10a, 11a-octahydropyrazino[2, 1-b][1, 3]benzoxazin-2-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2 and 3-b]pyridin-5-yloxy)benzamide
InChI
InChI=1S/C45H48ClN7O8S/c1-45(2)22-36(29-3-5-31(46)6-4-29)37-26-52-16-15-51(27-42(52)61-41(37)23-45)32-7-9-35(40(20-32)60-33-19-30-11-14-47-43(30)49-25-33)44(54)50-62(57,58)34-8-10-38(39(21-34)53(55)56)48-24-28-12-17-59-18-13-28/h3-11,14,19-21,25,28,41-42,48H,12-13,15-18,22-24,26-27H2,1-2H3,(H,47,49)(H,50,54)
