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Details

Stereochemistry EPIMERIC
Molecular Formula C24H32O8
Molecular Weight 448.5061
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,6,21-TRIHYDROXYEPLERENONE, (3.BETA.,6.BETA.)-

SMILES

[H][C@@]12C[C@@]3(C)[C@@]([H])(CC[C@@]34CC(O)C(=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=UEYYZGUMPCQQME-VZFYRKFZSA-N
InChI=1S/C24H32O8/c1-21-6-4-11(25)8-13(21)18(27)16(20(29)30-3)17-12-5-7-23(9-14(26)19(28)32-23)22(12,2)10-15-24(17,21)31-15/h8,11-12,14-18,25-27H,4-7,9-10H2,1-3H3/t11-,12-,14?,15+,16-,17+,18-,21-,22-,23+,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H32O8
Molecular Weight 448.5061
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 9 / 11
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
FQ7C4UQ5ZG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,6,21-TRIHYDROXYEPLERENONE, (3.BETA.,6.BETA.)-
Common Name English
(3.BETA.,6.BETA.,21)-HYDROXYEPLERENONE
Common Name English
(3.BETA.,6.BETA.,21)-TRIHYDROXYEPLERENONE
Common Name English
PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-3,6,21-TRIHYDROXY-, .GAMMA.-LACTONE, METHYL ESTER, (3.BETA.,6.BETA.,7.ALPHA.,11.ALPHA.,17.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
674781-18-1
Created by admin on Sat Dec 16 09:11:12 UTC 2023 , Edited by admin on Sat Dec 16 09:11:12 UTC 2023
PRIMARY
FDA UNII
FQ7C4UQ5ZG
Created by admin on Sat Dec 16 09:11:12 UTC 2023 , Edited by admin on Sat Dec 16 09:11:12 UTC 2023
PRIMARY
PUBCHEM
156028107
Created by admin on Sat Dec 16 09:11:12 UTC 2023 , Edited by admin on Sat Dec 16 09:11:12 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