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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H32O7
Molecular Weight 432.5067
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SC-70303 FREE ACID

SMILES

[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=XNSDIIWFWKXZBT-VWBFHTRKSA-N
InChI=1S/C24H32O7/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)/t15-,16+,17-,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 7 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:46:11 GMT 2023
Edited
by admin
on Sat Dec 16 08:46:11 GMT 2023
Record UNII
0M9Z8RMG83
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SC-70303 FREE ACID
Common Name English
EPLERENONE HYDROXYACID
Common Name English
PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-17-HYDROXY-3-OXO-, 7-METHYL ESTER, (7.ALPHA.,11.ALPHA.,17.ALPHA.)-
Systematic Name English
7-METHYL (7.ALPHA.,11.ALPHA.,17.ALPHA.)-9,11-EPOXY-17-HYDROXY-3-OXOPREGN-4-ENE-7,21-DICARBOXYLATE
Systematic Name English
9,11.ALPHA.-EPOXY-17-HYDROXY-7.ALPHA.-(METHOXYCARBONYL)-3-OXO-17.ALPHA.-PREGN-4-ENE-21-CARBOXYLIC ACID
Systematic Name English
EPLERENONE IMPURITY F [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
579484-30-3
Created by admin on Sat Dec 16 08:46:12 GMT 2023 , Edited by admin on Sat Dec 16 08:46:12 GMT 2023
PRIMARY
FDA UNII
0M9Z8RMG83
Created by admin on Sat Dec 16 08:46:12 GMT 2023 , Edited by admin on Sat Dec 16 08:46:12 GMT 2023
PRIMARY
PUBCHEM
9869347
Created by admin on Sat Dec 16 08:46:12 GMT 2023 , Edited by admin on Sat Dec 16 08:46:12 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
PLASMA
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP