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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 (11β,16β)-9-Fluoro-11-hydroxy-16-methyl-21-[(methylsulfonyl)oxy]-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione

SMILES

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

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 Sat Dec 16 15:21:49 UTC 2023
Edited
by admin
on Sat Dec 16 15:21:49 UTC 2023
Record UNII
GA4A80ZP11
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(11β,16β)-9-Fluoro-11-hydroxy-16-methyl-21-[(methylsulfonyl)oxy]-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione
Systematic Name English
9-fluoro-11β-hydroxy-16β-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)-, (11β,16β)-
Systematic Name English
CLOBETASOL PROPIONATE IMPURITY I [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
15423-80-0
Created by admin on Sat Dec 16 15:21:50 UTC 2023 , Edited by admin on Sat Dec 16 15:21:50 UTC 2023
PRIMARY
EPA CompTox
DTXSID30514069
Created by admin on Sat Dec 16 15:21:50 UTC 2023 , Edited by admin on Sat Dec 16 15:21:50 UTC 2023
PRIMARY
PUBCHEM
12960907
Created by admin on Sat Dec 16 15:21:50 UTC 2023 , Edited by admin on Sat Dec 16 15:21:50 UTC 2023
PRIMARY
FDA UNII
GA4A80ZP11
Created by admin on Sat Dec 16 15:21:50 UTC 2023 , Edited by admin on Sat Dec 16 15:21:50 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP