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Details

Stereochemistry EPIMERIC
Molecular Formula C24H30O7
Molecular Weight 430.4908
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 21-HYDROXYEPLERENONE

SMILES

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

InChI

InChIKey=TVCONGKEWSYBKD-NBACNWMZSA-N
InChI=1S/C24H30O7/c1-21-6-4-13(25)8-12(21)9-14(19(27)29-3)18-15-5-7-23(10-16(26)20(28)31-23)22(15,2)11-17-24(18,21)30-17/h8,14-18,26H,4-7,9-11H2,1-3H3/t14-,15+,16?,17-,18+,21+,22+,23-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H30O7
Molecular Weight 430.4908
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 7 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:11:11 UTC 2023
Edited
by admin
on Sat Dec 16 09:11:11 UTC 2023
Record UNII
87R014GSYH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
21-HYDROXYEPLERENONE
Common Name English
PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-17,21-DIHYDROXY-3-OXO-, .GAMMA.-LACTONE, METHYL ESTER, (7.ALPHA.,11.ALPHA.,17.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
334678-67-0
Created by admin on Sat Dec 16 09:11:11 UTC 2023 , Edited by admin on Sat Dec 16 09:11:11 UTC 2023
PRIMARY
FDA UNII
87R014GSYH
Created by admin on Sat Dec 16 09:11:11 UTC 2023 , Edited by admin on Sat Dec 16 09:11:11 UTC 2023
PRIMARY
PUBCHEM
91810647
Created by admin on Sat Dec 16 09:11:11 UTC 2023 , Edited by admin on Sat Dec 16 09:11:11 UTC 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