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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28F2O6
Molecular Weight 438.4616
Optical Activity ( + )
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6α,9α-Difluoroprednisolone 21-acetate

SMILES

[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]2([H])C[C@H](F)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=LAAFISZDLHQNFS-WGFKBPOKSA-N
InChI=1S/C23H28F2O6/c1-12(26)31-11-19(29)22(30)7-5-14-15-9-17(24)16-8-13(27)4-6-20(16,2)23(15,25)18(28)10-21(14,22)3/h4,6,8,14-15,17-18,28,30H,5,7,9-11H2,1-3H3/t14-,15-,17-,18-,20-,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H28F2O6
Molecular Weight 438.4616
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 19:16:27 GMT 2023
Edited
by admin
on Sat Dec 16 19:16:27 GMT 2023
Record UNII
953PJH8Y9L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6α,9α-Difluoroprednisolone 21-acetate
Common Name English
(6α,11β)-21-(Acetyloxy)-6,9-difluoro-11,17-dihydroxypregna-1,4-diene-3,20-dione
Systematic Name English
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-6,9-difluoro-11,17-dihydroxy-, (6α,11β)-
Systematic Name English
Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,17,21-trihydroxy-, 21-acetate
Systematic Name English
Code System Code Type Description
FDA UNII
953PJH8Y9L
Created by admin on Sat Dec 16 19:16:27 GMT 2023 , Edited by admin on Sat Dec 16 19:16:27 GMT 2023
PRIMARY
CAS
52-70-0
Created by admin on Sat Dec 16 19:16:27 GMT 2023 , Edited by admin on Sat Dec 16 19:16:27 GMT 2023
PRIMARY
PUBCHEM
101528
Created by admin on Sat Dec 16 19:16:27 GMT 2023 , Edited by admin on Sat Dec 16 19:16:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID90966323
Created by admin on Sat Dec 16 19:16:27 GMT 2023 , Edited by admin on Sat Dec 16 19:16:27 GMT 2023
PRIMARY