Spironolactone (Q4965)

From Chemical Compounds of Interest
Revision as of 19:02, 1 August 2024 by Egonw (talk | contribs) (‎Created claim: part of (P21): AOP-Wiki Prototypical Stressors (Q4761), #quickstatements; #temporary_batch_1722538560686)
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chemical compound
Language Label Description Also known as
English
Spironolactone
chemical compound

    Statements

    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
    0 references
    chemical formula
    C₂₄H₃₂O₄S
    1 reference
    based on heuristic
    inferred from SMILES
    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
    1 reference
    based on heuristic
    inferred from SMILES
    AOP-Wiki Stressor ID
    52
    0 references
     
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