spironolactone


S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[α]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate; spiractin; spironolactone
Links:🌍 Wikipedia, 📏 NIST, 📖 PubMed
MeSH:Hormone Antagonists; Hormones, Hormone Substitutes, and Hormone Antagonists; Mineralocorticoid Receptor Antagonists; Natriuretic Agents
CAS RN:[52-01-7]
Formula:C24H32O4S; 416.58 g/mol
InChiKey:LXMSZDCAJNLERA-ZHYRCANASA-N
SMILES:CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@H]13
Molecular structure of spironolactone
Melting point:135 °C
Log10 partition octanol / water:2.78

Isomers

Molecular structure of (1R,3aS,3bR,4S,9aR,9bS,11aS)-4-(acetylsulfanyl)-9a,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7-dione
spironolactone
Molecular structure of spironolactone