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Substance Name: 7alpha-(Methylthio)spironolactone S-oxide
RN: 38753-75-2
InChIKey: ADVFYBFTUKGFGC-FLWPULIFSA-N

Molecular Formula

  • C23-H32-O4-S

Molecular Weight

  • 404.568
 
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Names and Synonyms

Name of Substance

  • 7alpha-(Methylthio)spironolactone S-oxide

Synonym

  • Tmsl S-oxide

Systematic Name

  • Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-(methylsulfinyl)-3-oxo-, gamma-lactone, (7alpha,17alpha)-

Registry Numbers

CAS Registry Number

  • 38753-75-2

System Generated Number

  • 0038753752

Structure Descriptors

InChI

1S/C23H32O4S/c1-21-8-4-15(24)12-14(21)13-18(28(3)26)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)27-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18+,20+,21-,22-,23+,28?/m0/s1

InChIKey

ADVFYBFTUKGFGC-FLWPULIFSA-N

Smiles

O1[C@]2(CC[C@H]3[C@@H]4[C@@H](CC5=CC(=O)CC[C@@]5([C@H]4CC[C@@]23C)C)[S@@](C)=O)CCC1=O