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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H35FO8S
Molecular Weight 526.615
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (11?,16?)-9-Fluoro-11-hydroxy-16-methyl-21-[(methylsulfonyl)oxy]-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione

SMILES

CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)COS(C)(=O)=O

InChI

InChIKey=LJIXIWVFIFXMTE-SOMXGXJRSA-N
InChI=1S/C26H35FO8S/c1-6-22(31)35-26(21(30)14-34-36(5,32)33)15(2)11-19-18-8-7-16-12-17(28)9-10-23(16,3)25(18,27)20(29)13-24(19,26)4/h9-10,12,15,18-20,29H,6-8,11,13-14H2,1-5H3/t15-,18-,19-,20-,23-,24-,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H35FO8S
Molecular Weight 526.615
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:27:24 GMT 2025
Edited
by admin
on Wed Apr 02 05:27:24 GMT 2025
Record UNII
GA4A80ZP11
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(11?,16?)-9-Fluoro-11-hydroxy-16-methyl-21-[(methylsulfonyl)oxy]-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione
Systematic Name English
CLOBETASOL PROPIONATE IMPURITY I [EP IMPURITY]
Preferred Name English
9-fluoro-11?-hydroxy-16?-methyl-21-[(methanesulfonyl)oxy]-3,20-dioxopregna-1,4-dien-17-yl propanoate,
Systematic Name English
Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-21-[(methylsulfonyl)oxy]-17-(1-oxopropoxy)-, (11?,16?)-
Systematic Name English
Code System Code Type Description
CAS
15423-80-0
Created by admin on Wed Apr 02 05:27:24 GMT 2025 , Edited by admin on Wed Apr 02 05:27:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID30514069
Created by admin on Wed Apr 02 05:27:24 GMT 2025 , Edited by admin on Wed Apr 02 05:27:24 GMT 2025
PRIMARY
PUBCHEM
12960907
Created by admin on Wed Apr 02 05:27:24 GMT 2025 , Edited by admin on Wed Apr 02 05:27:24 GMT 2025
PRIMARY
FDA UNII
GA4A80ZP11
Created by admin on Wed Apr 02 05:27:24 GMT 2025 , Edited by admin on Wed Apr 02 05:27:24 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP