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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30O7
Molecular Weight 430.4908
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYEPLERENONE, 6.BETA.-

SMILES

[H][C@@]12C[C@@]3(C)[C@@]([H])(CC[C@@]34CCC(=O)O4)[C@]5([H])[C@@H]([C@@H](O)C6=CC(=O)CC[C@]6(C)[C@@]15O2)C(=O)OC

InChI

InChIKey=DDHQRXOAZNEFKY-LRKJUHPMSA-N
InChI=1S/C24H30O7/c1-21-7-4-12(25)10-14(21)19(27)17(20(28)29-3)18-13-5-8-23(9-6-16(26)31-23)22(13,2)11-15-24(18,21)30-15/h10,13,15,17-19,27H,4-9,11H2,1-3H3/t13-,15+,17-,18+,19-,21-,22-,23+,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H30O7
Molecular Weight 430.4908
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:11:10 UTC 2023
Edited
by admin
on Sat Dec 16 09:11:10 UTC 2023
Record UNII
V941WT74X6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROXYEPLERENONE, 6.BETA.-
Common Name English
6.BETA.-HYDROXYEPLERENONE
Common Name English
PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-6,17-DIHYDROXY-3-OXO-, .GAMMA.-LACTONE, METHYL ESTER, (6.BETA.,7.ALPHA.,11.ALPHA.,17.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
V941WT74X6
Created by admin on Sat Dec 16 09:11:10 UTC 2023 , Edited by admin on Sat Dec 16 09:11:10 UTC 2023
PRIMARY
PUBCHEM
29981516
Created by admin on Sat Dec 16 09:11:10 UTC 2023 , Edited by admin on Sat Dec 16 09:11:10 UTC 2023
PRIMARY
CAS
209253-80-5
Created by admin on Sat Dec 16 09:11:10 UTC 2023 , Edited by admin on Sat Dec 16 09:11:10 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Primarily mediated via CYP3A4. No active metabolites of eplerenone have been identified in human plasma
MAJOR
PLASMA; URINE