Spironolactone


Spironolactone
DEDuCT identifierDED000088
Pubchem identifier5833
CAS identifier52-01-7
IUPAC nameSpironolactone
Category based on type of supporting evidenceCategory II
Broad category based on environmental sourceMedicine and Healthcare, Pollutant
Sub-category based on environmental sourceDrugs and Pharmaceuticals, Environmental Pollutant
Chemical kingdomOrganic compounds
Chemical super-classLipids and lipid-like molecules
Chemical classSteroids and steroid derivatives
SMILESCC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C
InChIInChI=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
InChIKeyLXMSZDCAJNLERA-ZHYRCANASA-N

Download structure:
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT

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