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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26F2O4S
Molecular Weight 412.491
Optical Activity ( + )
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (6?,11?,16?,17?)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioic acid

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(O)C(S)=O

InChI

InChIKey=GLAJUXBOZSWZMM-IDIDPBNYSA-N
InChI=1S/C21H26F2O4S/c1-10-6-12-13-8-15(22)14-7-11(24)4-5-18(14,2)20(13,23)16(25)9-19(12,3)21(10,27)17(26)28/h4-5,7,10,12-13,15-16,25,27H,6,8-9H2,1-3H3,(H,26,28)/t10-,12+,13+,15+,16+,18+,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H26F2O4S
Molecular Weight 412.491
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:23:39 GMT 2025
Edited
by admin
on Tue Apr 01 16:23:39 GMT 2025
Record UNII
Q4ED6D7A2N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6?,11?,16?,17?)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioic acid
Systematic Name English
(6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-6,9-DIFLUORO-11,17-DIHYDROXY-16-METHYL-3-OXOANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID
Preferred Name English
Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxo-, (6?,11?,16?,17?)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10024665
Created by admin on Tue Apr 01 16:23:39 GMT 2025 , Edited by admin on Tue Apr 01 16:23:39 GMT 2025
PRIMARY
CAS
80473-92-3
Created by admin on Tue Apr 01 16:23:39 GMT 2025 , Edited by admin on Tue Apr 01 16:23:39 GMT 2025
PRIMARY
FDA UNII
Q4ED6D7A2N
Created by admin on Tue Apr 01 16:23:39 GMT 2025 , Edited by admin on Tue Apr 01 16:23:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID501019405
Created by admin on Tue Apr 01 16:23:39 GMT 2025 , Edited by admin on Tue Apr 01 16:23:39 GMT 2025
PRIMARY
Related Record Type Details
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