Analyte Name

Venetoclax-d6

Molecular Formula

C45H44D6ClN7O7S

Molecular Weight

874.48

Accurate Mass

873.36

SMILES

ClC1=CC=C(C2=C(CN3CCN(CC3)C4=CC(OC5=CN=C6C(C=CN6)=C5)=C(C=C4)C(NS(=O)(C7=CC(N(=O)=O)=C(C=C7)NC([2H])(C8C([2H])(COCC8([2H])[2H])[2H])[2H])=O)=O)CCC(C)(C2)C)C=C1

InChI

InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)/i13D2,14D2,27D2

IUPAC

2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl-3,3,5,5-d4)methyl-d2)amino)phenyl)sulfonyl)benzamide

Unlabelled CAS Number

1257044-40-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat