spironolactone

Ligand Id: 2875
Ligand name spironolactone

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 85.74
Molecular weight 416.2
XLogP 3.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1960))
IUPAC Name
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[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate
International Nonproprietary Names
INN number INN
987 spironolactone
Synonyms
spiractin
spirotone
Database Links
BindingDB Ligand 50228080
CAS Registry No. 52-01-7 (source: Scifinder)
ChEMBL Ligand CHEMBL1393
DrugBank Ligand DB00421
PubChem CID 5833
Search Google for chemical match using the InChIKey LXMSZDCAJNLERA-ZHYRCANASA-N
Search Google for chemicals with the same backbone LXMSZDCAJNLERA
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Wikipedia Spironolactone
ZINC ZINC03861599