U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30ClN
Molecular Weight 367.955
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-DEOXY 3-CHLOROABIRATERONE

SMILES

[H][C@@]12CC=C(C3=CN=CC=C3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC=C5C[C@@H](Cl)CC[C@]45C

InChI

InChIKey=AABSRCWNTZDUBK-VJLLXTKPSA-N
InChI=1S/C24H30ClN/c1-23-11-9-18(25)14-17(23)5-6-19-21-8-7-20(16-4-3-13-26-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-DEOXY 3-CHLOROABIRATERONE
Common Name English
PYRIDINE, 3-(3-CHLOROANDROSTA-5,16-DIEN-17-YL)-
Systematic Name English
3-DEOXY 3-CHLOROABIRATERONE [USP IMPURITY]
Common Name English
3.BETA.-CHLORO-17-(PYRIDIN-3-YL)ANDROSTA-5,16-DIENE
Systematic Name English
Code System Code Type Description
FDA UNII
33L6LF6KPC
Created by admin on Sat Dec 16 10:27:30 GMT 2023 , Edited by admin on Sat Dec 16 10:27:30 GMT 2023
PRIMARY
CAS
2484719-16-4
Created by admin on Sat Dec 16 10:27:30 GMT 2023 , Edited by admin on Sat Dec 16 10:27:30 GMT 2023
PRIMARY
PUBCHEM
156596520
Created by admin on Sat Dec 16 10:27:30 GMT 2023 , Edited by admin on Sat Dec 16 10:27:30 GMT 2023
PRIMARY