Molecular Identity
finasteride
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
PubChem CID: 57363
Finasteride is an aza-steroid that is a synthetic drug for the treatment of benign prostatic hyperplasia. It has a role as an androgen antagonist, an EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor and an antihyperplasia drug. It is an aza-steroid, a 3-oxo steroid and a delta-lactam. It derives from a hydride of a 5alpha-androstane.
2D Structure
Properties
C23H36N2O2
Molecular Formula
372.50
Molecular Weight
g/mol
372.2777
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
58.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
678
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
finasteride98319-26-7ProscarPropeciaFinastidProstideChibro-ProscarMK-906FinasteridaFinpeciaFinasteridumMK 906DTXSID3020625N-tert-Butyl-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamideMK906
Data from PubChem (NCBI)
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