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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31O7.K
Molecular Weight 470.597
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SC-70303

SMILES

[K+].[H][C@@]12C[C@@]3(C)[C@@]([H])(CC[C@@]3(O)CCC([O-])=O)[C@]4([H])[C@@H](CC5=CC(=O)CC[C@]5(C)[C@@]14O2)C(=O)OC

InChI

InChIKey=PRKXKJMKEHYPBV-PUDZRVQSSA-M
InChI=1S/C24H32O7.K/c1-21-7-4-14(25)10-13(21)11-15(20(28)30-3)19-16-5-8-23(29,9-6-18(26)27)22(16,2)12-17-24(19,21)31-17;/h10,15-17,19,29H,4-9,11-12H2,1-3H3,(H,26,27);/q;+1/p-1/t15-,16+,17-,19+,21+,22+,23-,24-;/m1./s1

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H31O7
Molecular Weight 431.4987
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:59:54 GMT 2023
Edited
by admin
on Sat Dec 16 08:59:54 GMT 2023
Record UNII
1385Q51VEM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SC-70303
Common Name English
EPLERENONE HYDROXYACID POTASSIUM
Common Name English
EPLERENONE HYDROXYACID POTASSIUM SALT
Common Name English
PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-17-HYDROXY-3-OXO-, 7-METHYL ESTER, POTASSIUM SALT (1:1), (7.ALPHA.,11.ALPHA.,17.ALPHA.)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30675881
Created by admin on Sat Dec 16 08:59:54 GMT 2023 , Edited by admin on Sat Dec 16 08:59:54 GMT 2023
PRIMARY
FDA UNII
1385Q51VEM
Created by admin on Sat Dec 16 08:59:54 GMT 2023 , Edited by admin on Sat Dec 16 08:59:54 GMT 2023
PRIMARY
PUBCHEM
23670437
Created by admin on Sat Dec 16 08:59:54 GMT 2023 , Edited by admin on Sat Dec 16 08:59:54 GMT 2023
PRIMARY
CAS
95716-98-6
Created by admin on Sat Dec 16 08:59:54 GMT 2023 , Edited by admin on Sat Dec 16 08:59:54 GMT 2023
PRIMARY