Analyte Name

O-Chlorobutylabiraterone

CAS Number

2484719-17-5

Molecular Formula

C28 H38 Cl N O

Molecular Weight

440.06

Accurate Mass

439.264

SMILES

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OCCCCCl)[C@@H]1CC=C2c5cccnc5

InChI

InChI=1S/C28H38ClNO/c1-27-13-11-22(31-17-4-3-15-29)18-21(27)7-8-23-25-10-9-24(20-6-5-16-30-19-20)28(25,2)14-12-26(23)27/h5-7,9,16,19,22-23,25-26H,3-4,8,10-15,17-18H2,1-2H3/t22-,23-,25-,26-,27-,28+/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat