HGMMX

Spironolactone

Type: Approved drug
PubChem: 5833
DrugBank: DB00421
IUPAC: ethanethioic acid S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxo-7-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]yl] ester
Standard InChI: 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
Standard InChIKey: LXMSZDCAJNLERA-ZHYRCANASA-N
SMILES: CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12
Metabolism-related information: No data
Reference: No data

Metabolites

Chemical Structure Metablite's name Reaction name Genus Species Reference
10,13-dimethyl-7-sulfanylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dioneDeacylationGut microbiotaGut microbiota10.1016/j.cell.2020.05.001