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Details

Stereochemistry ACHIRAL
Molecular Formula C25H32F2O6
Molecular Weight 466.5148
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (6.ALPHA.,11.BETA.)-6,9-DIFLUORO-11,21-DIHYDROXY-17-(1-OXOBUTOXY)PREGNA-1,4-DIENE-3,20-DIONE

SMILES

[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)CO)[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=BQEJAAIPKDQEPV-MXHGPKCJSA-N
InChI=1S/C25H32F2O6/c1-4-5-21(32)33-24(20(31)13-28)9-7-15-16-11-18(26)17-10-14(29)6-8-22(17,2)25(16,27)19(30)12-23(15,24)3/h6,8,10,15-16,18-19,28,30H,4-5,7,9,11-13H2,1-3H3/t15-,16-,18-,19-,22-,23-,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H32F2O6
Molecular Weight 466.5148
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 18:56:12 GMT 2023
Edited
by admin
on Sat Dec 16 18:56:12 GMT 2023
Record UNII
44L6C59WTE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6.ALPHA.,11.BETA.)-6,9-DIFLUORO-11,21-DIHYDROXY-17-(1-OXOBUTOXY)PREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
6ALPHA,9-DIFLUORO-11BETA,17,21-TRIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE 17-BUTYRATE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 6,9-DIFLUORO-11,21-DIHYDROXY-17-(1-OXOBUTOXY)-, (6.ALPHA.,11.BETA.)-
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 6.ALPHA.,9-DIFLUORO-11.BETA.,17,21-TRIHYDROXY-, 17-BUTYRATE
Systematic Name English
DFBMETABOLITE OF DIFLUPREDNATE
Common Name English
6.ALPHA.,9-DIFLUOROPREDNISOLONE 17BUTYRATE
Common Name English
BUTYRIC ACID, 17-ESTER WITH 6.ALPHA.,9-DIFLUORO-11.BETA.,17,21-TRIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
12986413
Created by admin on Sat Dec 16 18:56:12 GMT 2023 , Edited by admin on Sat Dec 16 18:56:12 GMT 2023
PRIMARY
ECHA (EC/EINECS)
245-798-3
Created by admin on Sat Dec 16 18:56:12 GMT 2023 , Edited by admin on Sat Dec 16 18:56:12 GMT 2023
PRIMARY
FDA UNII
44L6C59WTE
Created by admin on Sat Dec 16 18:56:12 GMT 2023 , Edited by admin on Sat Dec 16 18:56:12 GMT 2023
PRIMARY
CAS
23640-96-2
Created by admin on Sat Dec 16 18:56:12 GMT 2023 , Edited by admin on Sat Dec 16 18:56:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID00178314
Created by admin on Sat Dec 16 18:56:12 GMT 2023 , Edited by admin on Sat Dec 16 18:56:12 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE