Molecular Identity
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[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate
PubChem CID: 5833
Spironolactone can cause cancer according to state or federal government labeling requirements.
2D Structure
Properties
C24H32O4S
Molecular Formula
416.60
Molecular Weight
g/mol
416.2021
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
85.7
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
818
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)CIsomeric SMILES
SMILES: CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)CSynonyms(20)
spironolactone52-01-7AldactoneVerospironeSpirolactoneSpiresisUractoneXenalonspironolattoneEspironolactonaSpironolactonumAbbolactoneDiatensecLaractoneSC 9420
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Spironolactone
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