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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H35FO5
Molecular Weight 458.5622
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6?-fluoro-16?-methyl-3,11,20-trioxopregna-1,4-dien-21-yl 2,2-dimethylpropanoate

SMILES

C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C

InChI

InChIKey=CDDOEKYWRFEFCH-PSQDIFCMSA-N
InChI=1S/C27H35FO5/c1-14-9-17-16-11-19(28)18-10-15(29)7-8-26(18,5)23(16)20(30)12-27(17,6)22(14)21(31)13-33-24(32)25(2,3)4/h7-8,10,14,16-17,19,22-23H,9,11-13H2,1-6H3/t14-,16+,17+,19+,22-,23-,26+,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H35FO5
Molecular Weight 458.5622
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 17:01:45 GMT 2025
Edited
by admin
on Wed Apr 02 17:01:45 GMT 2025
Record UNII
5K9974Q4AM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6?-fluoro-16?-methyl-3,11,20-trioxopregna-1,4-dien-21-yl 2,2-dimethylpropanoate
Systematic Name English
FLUOCORTOLONE PIVALATE IMPURITY C [ EP IMPURITY]
Preferred Name English
Pregna-1,4-diene-3,11,20-trione, 21-(2,2-dimethyl-1-oxopropoxy)-6-fluoro-16-methyl-, (6?,16?)-
Systematic Name English
Code System Code Type Description
FDA UNII
5K9974Q4AM
Created by admin on Wed Apr 02 17:01:45 GMT 2025 , Edited by admin on Wed Apr 02 17:01:45 GMT 2025
PRIMARY
CAS
79884-56-3
Created by admin on Wed Apr 02 17:01:45 GMT 2025 , Edited by admin on Wed Apr 02 17:01:45 GMT 2025
PRIMARY
PUBCHEM
70546176
Created by admin on Wed Apr 02 17:01:45 GMT 2025 , Edited by admin on Wed Apr 02 17:01:45 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY