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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26Cl2O6
Molecular Weight 457.344
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-((DICHLOROACETYL)OXY)-11-HYDROXY-3-OXO-ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID, (11.BETA.,17.ALPHA.)-

SMILES

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

InChI

InChIKey=UAQKYUFRLWSILR-HSANCCRFSA-N
InChI=1S/C22H26Cl2O6/c1-20-7-5-12(25)9-11(20)3-4-13-14-6-8-22(19(28)29,30-18(27)17(23)24)21(14,2)10-15(26)16(13)20/h5,7,9,13-17,26H,3-4,6,8,10H2,1-2H3,(H,28,29)/t13-,14-,15-,16+,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H26Cl2O6
Molecular Weight 457.344
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:55:13 GMT 2025
Edited
by admin
on Mon Mar 31 22:55:13 GMT 2025
Record UNII
1D07Y3I3W3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17-((DICHLOROACETYL)OXY)-11-HYDROXY-3-OXO-ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID, (11.BETA.,17.ALPHA.)-
Common Name English
ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID, 17-((DICHLOROACETYL)OXY)-11-HYDROXY-3-OXO-, (11.BETA.,17.ALPHA.)-
Preferred Name English
ETIPREDNOL DICLOACETATE 17.BETA.CARBOXYLIC ACID METABOLITE
Common Name English
Code System Code Type Description
CAS
199331-37-8
Created by admin on Mon Mar 31 22:55:13 GMT 2025 , Edited by admin on Mon Mar 31 22:55:13 GMT 2025
PRIMARY
FDA UNII
1D07Y3I3W3
Created by admin on Mon Mar 31 22:55:13 GMT 2025 , Edited by admin on Mon Mar 31 22:55:13 GMT 2025
PRIMARY
PUBCHEM
11328582
Created by admin on Mon Mar 31 22:55:13 GMT 2025 , Edited by admin on Mon Mar 31 22:55:13 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE