small molecule

Spironolactone

Synonyms/Brands: ntp-spironol, Spironolactone, Spironolattone, Spironolactonum, Espironolactona, apo-spirozide tab

A potassium sparing diuretic that acts by antagonism of aldosterone in the distal renal tubules. It is used mainly in the treatment of refractory edema in patients with congestive heart failure, nephrotic syndrome, or hepatic cirrhosis. Its effects on the endocrine system are utilized in the treatments of hirsutism and acne but they can lead to adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p827)

Molecular Formula: C₂₄H₃₂O₄S

Molecular Weight:: 416.573

CAS:: 52-01-7

ATC:: C03DA01

InChiKey:: LXMSZDCAJNLERA-ZHYRCANASA-N

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

SMILES:: [H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O

IUPAC Name:: (1'S,2R,2'R,9'R,10'R,11'S,15'S)-9'-(acetylsulfanyl)-2',15'-dimethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0,.0,]heptadecan]-6'-ene-5,5'-dione

DrugBank BindingDB ChEMBL PubChem ChemSpider ChEBI PDB KEGG Drug

Download Curated Data for this Chemical

413

Interactors 26
Chemical Interactions 50
Network

Chemical Summary

Spironolactone