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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

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

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 Sat Dec 16 09:55:44 GMT 2023
Edited
by admin
on Sat Dec 16 09:55:44 GMT 2023
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
ETIPREDNOL DICLOACETATE 17.BETA.CARBOXYLIC ACID METABOLITE
Common Name English
ANDROSTA-1,4-DIENE-17-CARBOXYLIC ACID, 17-((DICHLOROACETYL)OXY)-11-HYDROXY-3-OXO-, (11.BETA.,17.ALPHA.)-
Common Name English
Code System Code Type Description
CAS
199331-37-8
Created by admin on Sat Dec 16 09:55:44 GMT 2023 , Edited by admin on Sat Dec 16 09:55:44 GMT 2023
PRIMARY
FDA UNII
1D07Y3I3W3
Created by admin on Sat Dec 16 09:55:44 GMT 2023 , Edited by admin on Sat Dec 16 09:55:44 GMT 2023
PRIMARY
PUBCHEM
11328582
Created by admin on Sat Dec 16 09:55:44 GMT 2023 , Edited by admin on Sat Dec 16 09:55:44 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
MAJOR
PLASMA