Abiraterone Sulfate Sodium Salt-D4

Analyte Name

Abiraterone Sulfate Sodium Salt D4 (pyridinyl-D4)

Molecular Formula

C24 D4 H26 N O4 S . Na

Molecular Weight

455.579

Accurate Mass

455.204

SMILES

[Na+].[2H]c1nc([2H])c(C2=CC[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)OS(=O)(=O)[O-])c([2H])c1[2H]

InChI

InChI=1S/C24H31NO4S.Na/c1-23-11-9-18(29-30(26,27)28)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23;/h3-5,7,13,15,18-19,21-22H,6,8-12,14H2,1-2H3,(H,26,27,28);/q;+1/p-1/t18-,19-,21-,22-,23-,24+;/m0./s1/i3D,4D,13D,15D;

IUPAC

sodium;[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(2,4,5,6-tetradeuteriopyridin-3-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat