VNL7-VNL5 (Venetoclax Dimer Impurity 2)

Product Specifications

CAS Number

2270190-88-8

Synonyms

Benzamide, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-[[1-[4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ox

Hazard Statement

No Data Available

Smiles

CC1(C)CCC(=C(C1)c2ccc(Cl)cc2)CN3CCN(CC3)c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c(c5)N(=O)=O)c(Oc7cnc8c(ccn8C(=O)c9ccc(cc9Oc%10cnc%11[nH]ccc%11c%10)N%12CCN(CC%13=C(CC(C)(C)CC%13)c%14ccc(Cl)cc%14)CC%12)c7)c4

Molecular Formula

C78 H83 Cl2 N11 O9 S

Molecular Weight

1421.533

InChI

InChI=1S/C78H83Cl2N11O9S/c1-77(2)25-19-56(67(44-77)52-5-9-58(79)10-6-52)49-86-29-33-88(34-30-86)60-13-16-65(75(92)85-101(96,97)64-15-18-69(70(43-64)91(94)95)82-46-51-23-37-98-38-24-51)71(41-60)99-63-40-55-22-28-90(74(55)84-48-63)76(93)66-17-14-61(42-72(66)100-62-39-54-21-27-81-73(54)83-47-62)89-35-31-87(32-36-89)50-57-20-26-78(3,4)45-68(57)53-7-11-59(80)12-8-53/h5-18,21-22,27-28,39-43,47-48,51,82H,19-20,23-26,29-38,44-46,49-50H2,1-4H3,(H,81,83)(H,85,92)

Additionnal Information

IUPAC name: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-2-[1-[4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoyl]pyrrolo[2,3-b]pyridin-5-yl]oxy-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonylbenzamide