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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30F2O6S
Molecular Weight 520.585
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-17-[[(3-methyl-2-furanyl)carbonyl]oxy]-3-oxo-, (6?,11?,16?,17?)-

SMILES

C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C5=C(C)C=CO5)C(S)=O

InChI

InChIKey=AYFMUMWLEZOPCF-OJAGFMMFSA-N
InChI=1S/C27H30F2O6S/c1-13-6-8-34-21(13)22(32)35-27(23(33)36)14(2)9-16-17-11-19(28)18-10-15(30)5-7-24(18,3)26(17,29)20(31)12-25(16,27)4/h5-8,10,14,16-17,19-20,31H,9,11-12H2,1-4H3,(H,33,36)/t14-,16+,17+,19+,20+,24+,25+,26+,27+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(6?,11?,16?,17?)-6,9-Difluoro-11-hydroxy-16-methyl-17-[[(3-methyl-2-furanyl)carbonyl]oxy]-3-oxoandrosta-1,4-diene-17-carbothioic acid
Preferred Name English
Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-17-[[(3-methyl-2-furanyl)carbonyl]oxy]-3-oxo-, (6?,11?,16?,17?)-
Systematic Name English
Code System Code Type Description
PUBCHEM
87609003
Created by admin on Wed Apr 02 19:55:15 GMT 2025 , Edited by admin on Wed Apr 02 19:55:15 GMT 2025
PRIMARY
FDA UNII
7LE8VRA8SA
Created by admin on Wed Apr 02 19:55:15 GMT 2025 , Edited by admin on Wed Apr 02 19:55:15 GMT 2025
PRIMARY
CAS
398455-51-1
Created by admin on Wed Apr 02 19:55:15 GMT 2025 , Edited by admin on Wed Apr 02 19:55:15 GMT 2025
PRIMARY