Spironolactone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 538
Total Number of Articles : 982
PubChem 5833
Molecular Formula

C24H32O4S

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)C

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

synonyms
  • spironolactone
  • 52-01-7
  • Aldactone
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Properties
Property Value
MW 416.6 g/mol
HBD 0
HBA 5
Rotatable Bond Count 2
Exact Mass 416.20213067 g/mol
Monoisotopic Mass 416.20213067 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 818
xlogp 2.9
Topological Polar Surface Area 85.7