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Spironolactone

CAS Registry Number®

52-01-7

CAS Name

Spironolactone

Molecular Formula

C24H32O4S

Molecular Mass

416.57

Cite this Page

Spironolactone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52-01-7 (retrieved 2024-11-23) (CAS RN: 52-01-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    134-135 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

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

InChIKey

InChIKey=LXMSZDCAJNLERA-ZHYRCANASA-N

SMILES

C[C@@]12[C@]3(CC[C@]1([C@]4([C@](CC2)([C@]5(C)C(C[C@H]4SC(C)=O)=CC(=O)CC5)[H])[H])[H])OC(=O)CC3

Canonical SMILES

O=C(SC1CC2=CC(=O)CCC2(C)C3CCC4(C)C(CCC54OC(=O)CC5)C13)C

Other Names for this Substance

  • Pregn-4-ene-21-carboxylic acid, 7-(acetylthio)-17-hydroxy-3-oxo-, γ-lactone, (7α,17α)-
  • 17α-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7α-mercapto-3-oxo-, γ-lactone, acetate
  • Spiro[17H-cyclopenta[a]phenanthrene-17,2′(5′H)-furan], pregn-4-ene-21-carboxylic acid deriv.
  • SC 9420
  • 3-(3-keto-7α-Acetylthio-17β-hydroxy-4-androsten-17α-yl)propionic acid lactone

View All

Deleted or Replaced CAS Registry Numbers

496916-40-6, 1050678-93-7, 1436392-20-9

CAS INSIGHTSTM
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