ABT-199-D10

Analyte Name

Venetoclax-d10

Molecular Formula

C45 D10 H40 Cl N7 O7 S

Molecular Weight

878.5

Accurate Mass

877.3809

SMILES

[2H]C([2H])(N1C([2H])([2H])C([2H])([2H])N(c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+](=O)[O-])c(Oc5cnc6[nH]ccc6c5)c2)C([2H])([2H])C1([2H])[2H])C7=C(CC(C)(C)CC7)c8ccc(Cl)cc8

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)/i17D2,18D2,19D2,20D2,29D2

IUPAC

4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]-dideuterio-methyl]-2,2,3,3,5,5,6,6-octadeuterio-piperazin-1-yl]-N-[3-nitro-4-(tetrahydropyran-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

Unlabelled CAS Number

1257044-40-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat