Desdimethyl 3-Hydroxy Venetoclax

Analyte Name

Desdimethyl 3-Hydroxy Venetoclax

Molecular Formula

C43 H46 Cl N7 O8 S

Molecular Weight

856.385

Accurate Mass

855.282

SMILES

OC1CCCC(=C1CN2CCN(CC2)c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c(c4)[N+](=O)[O-])c(Oc6cnc7[nH]ccc7c6)c3)c8ccc(Cl)cc8

InChI

InChI=1S/C43H46ClN7O8S/c44-31-6-4-29(5-7-31)35-2-1-3-40(52)37(35)27-49-16-18-50(19-17-49)32-8-10-36(41(23-32)59-33-22-30-12-15-45-42(30)47-26-33)43(53)48-60(56,57)34-9-11-38(39(24-34)51(54)55)46-25-28-13-20-58-21-14-28/h4-12,15,22-24,26,28,40,46,52H,1-3,13-14,16-21,25,27H2,(H,45,47)(H,48,53)

IUPAC

4-[4-[[2-(4-chlorophenyl)-6-hydroxycyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat