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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H29BrO3
Molecular Weight 409.357
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11.BETA.-HYDROXY-12.ALPHA.-BROMOPROGESTERONE

SMILES

[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)[C@@H](Br)[C@H](O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)CC[C@]34C

InChI

InChIKey=BJZVIASULZGRCL-YRCLAMMRSA-N
InChI=1S/C21H29BrO3/c1-11(23)15-6-7-16-14-5-4-12-10-13(24)8-9-20(12,2)17(14)18(25)19(22)21(15,16)3/h10,14-19,25H,4-9H2,1-3H3/t14-,15+,16-,17+,18+,19-,20-,21+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
11.BETA.-HYDROXY-12.ALPHA.-BROMOPROGESTERONE
Common Name English
PREGN-4-ENE-3,20-DIONE, 12-BROMO-11-HYDROXY-, (11.BETA.,12.ALPHA.)-
Systematic Name English
PROGESTERONE, 12.ALPHA.-BROMO-11.BETA.-HYDROXY-
Common Name English
12.ALPHA.-BROMO-11.BETA.-HYDROXYPREGN-4-ENE-3,20-DIONE
Systematic Name English
NSC-45416
Code English
PREGN-4-ENE-3,20-DIONE, 12.ALPHA.-BROMO-11.BETA.-HYDROXY-
Systematic Name English
Code System Code Type Description
PUBCHEM
239806
Created by admin on Sat Dec 16 06:08:24 GMT 2023 , Edited by admin on Sat Dec 16 06:08:24 GMT 2023
PRIMARY
NSC
45416
Created by admin on Sat Dec 16 06:08:24 GMT 2023 , Edited by admin on Sat Dec 16 06:08:24 GMT 2023
PRIMARY
CAS
1242-47-3
Created by admin on Sat Dec 16 06:08:24 GMT 2023 , Edited by admin on Sat Dec 16 06:08:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID10154240
Created by admin on Sat Dec 16 06:08:24 GMT 2023 , Edited by admin on Sat Dec 16 06:08:24 GMT 2023
PRIMARY
FDA UNII
7E8FHZ33OI
Created by admin on Sat Dec 16 06:08:24 GMT 2023 , Edited by admin on Sat Dec 16 06:08:24 GMT 2023
PRIMARY