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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H29NO
Molecular Weight 347.4932
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .DELTA.4-ABIRATERONE

SMILES

[H][C@@]12CC=C(C3=CN=CC=C3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CCC5=CC(=O)CC[C@]45C

InChI

InChIKey=GYJZZAJJENTSTP-NHFPKVKZSA-N
InChI=1S/C24H29NO/c1-23-11-9-18(26)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/h3-4,7,13-15,19,21-22H,5-6,8-12H2,1-2H3/t19-,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
.DELTA.4-ABIRATERONE
Common Name English
ANDROSTA-4,16-DIEN-3-ONE, 17-(3-PYRIDINYL)-
Systematic Name English
(8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-1,2,6,7,8,9,10,11,12,13,14,15-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
Systematic Name English
CB-7627
Code English
17-(3-PYRIDINYL)ANDROSTA-4,16-DIEN-3-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
Z2L6XS2R7H
Created by admin on Sat Dec 16 18:12:01 GMT 2023 , Edited by admin on Sat Dec 16 18:12:01 GMT 2023
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CAS
154229-21-7
Created by admin on Sat Dec 16 18:12:01 GMT 2023 , Edited by admin on Sat Dec 16 18:12:01 GMT 2023
PRIMARY
PUBCHEM
196941
Created by admin on Sat Dec 16 18:12:01 GMT 2023 , Edited by admin on Sat Dec 16 18:12:01 GMT 2023
PRIMARY
WIKIPEDIA
Δ4-Abiraterone
Created by admin on Sat Dec 16 18:12:01 GMT 2023 , Edited by admin on Sat Dec 16 18:12:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID90934961
Created by admin on Sat Dec 16 18:12:01 GMT 2023 , Edited by admin on Sat Dec 16 18:12:01 GMT 2023
PRIMARY