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Details

Stereochemistry EPIMERIC
Molecular Formula C24H32O4S
Molecular Weight 418.582
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Spironolactone H-3

SMILES

[3H]C1CC(=O)C=C2C[C@@H](SC(C)=O)[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]12C

InChI

InChIKey=LXMSZDCAJNLERA-DQRCKVONSA-N
InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1/i8T/t8?,17-,18-,19+,21+,22-,23-,24+

HIDE SMILES / InChI

Molecular Formula C24H32O4S
Molecular Weight 418.582
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 7 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:46:20 GMT 2025
Edited
by admin
on Wed Apr 02 19:46:20 GMT 2025
Record UNII
HP84A7VHS3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Spironolactone 1-t
Preferred Name English
Spironolactone H-3
Common Name English
Pregn-4-ene-1-t-21-carboxylic acid, 7-(acetylthio)-17-hydroxy-3-oxo-, ?-lactone, (7?,17?)-
Systematic Name English
Code System Code Type Description
FDA UNII
HP84A7VHS3
Created by admin on Wed Apr 02 19:46:20 GMT 2025 , Edited by admin on Wed Apr 02 19:46:20 GMT 2025
PRIMARY
PUBCHEM
12358366
Created by admin on Wed Apr 02 19:46:20 GMT 2025 , Edited by admin on Wed Apr 02 19:46:20 GMT 2025
PRIMARY
CAS
117803-78-8
Created by admin on Wed Apr 02 19:46:20 GMT 2025 , Edited by admin on Wed Apr 02 19:46:20 GMT 2025
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED