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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28O6
Molecular Weight 400.4648
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPLERENONE 7-CARBOXYLIC ACID

SMILES

[H][C@@]12C[C@@]3(C)[C@@]([H])(CC[C@@]34CCC(=O)O4)[C@]5([H])[C@@H](CC6=CC(=O)CC[C@]6(C)[C@@]15O2)C(O)=O

InChI

InChIKey=FLTCRAGDAAVKPG-ALROZPJCSA-N
InChI=1S/C23H28O6/c1-20-6-3-13(24)9-12(20)10-14(19(26)27)18-15-4-7-22(8-5-17(25)29-22)21(15,2)11-16-23(18,20)28-16/h9,14-16,18H,3-8,10-11H2,1-2H3,(H,26,27)/t14-,15+,16-,18+,20+,21+,22-,23-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
EPLERENONE 7-CARBOXYLIC ACID
Common Name English
EPLERENONE IMPURITY D [EP IMPURITY]
Common Name English
PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-17-HYDROXY-3-OXO-, .GAMMA.-LACTONE, (7.ALPHA.,11.ALPHA.,17.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
58700874
Created by admin on Fri Dec 15 15:47:58 GMT 2023 , Edited by admin on Fri Dec 15 15:47:58 GMT 2023
PRIMARY
FDA UNII
082VBP8OQR
Created by admin on Fri Dec 15 15:47:58 GMT 2023 , Edited by admin on Fri Dec 15 15:47:58 GMT 2023
PRIMARY
CAS
209253-82-7
Created by admin on Fri Dec 15 15:47:58 GMT 2023 , Edited by admin on Fri Dec 15 15:47:58 GMT 2023
PRIMARY