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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H27ClF2O6
Molecular Weight 472.907
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16.ALPHA.-CHLORO-6.ALPHA.,9.ALPHA.-DIFLUOROPREDNISOLONE 21-ACETATE

SMILES

CC(=O)OCC(=O)[C@@]1(O)[C@H](Cl)C[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@]12C

InChI

InChIKey=HKCOVWKPDSUVTL-MASFLUIBSA-N
InChI=1S/C23H27ClF2O6/c1-11(27)32-10-19(30)23(31)17(24)8-13-14-7-16(25)15-6-12(28)4-5-20(15,2)22(14,26)18(29)9-21(13,23)3/h4-6,13-14,16-18,29,31H,7-10H2,1-3H3/t13-,14-,16-,17+,18-,20-,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H27ClF2O6
Molecular Weight 472.907
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 Mon Mar 31 17:49:39 GMT 2025
Edited
by admin
on Mon Mar 31 17:49:39 GMT 2025
Record UNII
0A87BSC7DO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREGNA-1,4-DIENE-3,20-DIONE, 16.ALPHA.-CHLORO-6.ALPHA.,9-DIFLUORO-11.BETA.,17,21-TRIHYDROXY-, 21-ACETATE
Preferred Name English
16.ALPHA.-CHLORO-6.ALPHA.,9.ALPHA.-DIFLUOROPREDNISOLONE 21-ACETATE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-16-CHLORO-6,9-DIFLUORO-11,17-DIHYDROXY-, (6.ALPHA.,11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
109374089
Created by admin on Mon Mar 31 17:49:39 GMT 2025 , Edited by admin on Mon Mar 31 17:49:39 GMT 2025
PRIMARY
CAS
52-99-3
Created by admin on Mon Mar 31 17:49:39 GMT 2025 , Edited by admin on Mon Mar 31 17:49:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID201018915
Created by admin on Mon Mar 31 17:49:39 GMT 2025 , Edited by admin on Mon Mar 31 17:49:39 GMT 2025
PRIMARY
FDA UNII
0A87BSC7DO
Created by admin on Mon Mar 31 17:49:39 GMT 2025 , Edited by admin on Mon Mar 31 17:49:39 GMT 2025
PRIMARY