Abiraterone N-Oxide Sulfate Sodium Salt

Analyte Name

Abiraterone Sulfate N-Oxide Sodium Salt

Molecular Formula

C24 H30 N O5 S . Na

Molecular Weight

467.5535

Accurate Mass

467.1742

SMILES

[Na+].C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OS(=O)(=O)[O-])[C@@H]1CC=C2c5ccc[n+]([O-])c5

InChI

InChI=1S/C24H31NO5S.Na/c1-23-11-9-18(30-31(27,28)29)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25(26)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,27,28,29);/q;+1/p-1/t18-,19-,21-,22-,23-,24+;/m0./s1

IUPAC

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

Alternate CAS Number

Free acid: 1993430-24-2; Parent compound: 154229-19-3

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Abiraterone Sulfate; Abiraterone Acetate

Purity

>95% (HPLC)