ABT 263-d8

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Analyte Name

ABT 263-d8

CAS Number

1217620-38-6

Molecular Formula

C47H47D8ClF3N5O6S3

Molecular Weight

982.66

SMILES

O=C(NS(C1=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC2=CC=CC=C2)CCN3C([2H])([2H])C([2H])([2H])OC([2H])([2H])C3([2H])[2H])C=C1)(=O)=O)C(C=C4)=CC=C4N(CC5)CCN5CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6

InChI

InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1/i26D2,27D2,28D2,29D2

IUPAC

4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide

Unlabelled CAS Number

923564-51-6

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

ABT 263