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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H32O7
Molecular Weight 432.5067
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,6-DIHYDROXYEPLERENONE, (3.ALPHA.,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=C[C@H](O)CC[C@]6(C)[C@@]15O2)C(=O)OC

InChI

InChIKey=UBHVSGLCUWAPDA-RFGYUHHVSA-N
InChI=1S/C24H32O7/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/h10,12-13,15,17-19,25,27H,4-9,11H2,1-3H3/t12-,13+,15-,17+,18-,19+,21+,22+,23-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H32O7
Molecular Weight 432.5067
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:11:12 GMT 2023
Edited
by admin
on Sat Dec 16 09:11:12 GMT 2023
Record UNII
RK8V4S4MCC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,6-DIHYDROXYEPLERENONE, (3.ALPHA.,6.BETA.)-
Common Name English
(3.ALPHA.,6.BETA.)-HYDROXYEPLERENONE
Common Name English
(3.ALPHA.,6.BETA.)-DIHYDROXYEPLERENONE
Common Name English
PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-3,6-DIHYDROXY-, .GAMMA.-LACTONE, METHYL ESTER, (3.ALPHA.,6.BETA.,7.ALPHA.,11.ALPHA.,17.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
RK8V4S4MCC
Created by admin on Sat Dec 16 09:11:12 GMT 2023 , Edited by admin on Sat Dec 16 09:11:12 GMT 2023
PRIMARY
PUBCHEM
156028125
Created by admin on Sat Dec 16 09:11:12 GMT 2023 , Edited by admin on Sat Dec 16 09:11:12 GMT 2023
PRIMARY
CAS
674781-16-9
Created by admin on Sat Dec 16 09:11:12 GMT 2023 , Edited by admin on Sat Dec 16 09:11:12 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Primarily mediated via CYP3A4. No active metabolites of eplerenone have been identified in human plasma
MINOR
FECAL; PLASMA; URINE