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Substance Name: 7-Thiomethylspirolactone
RN: 38753-77-4
UNII: 0YU66JY4WL
InChIKey: FWRDLPQBEOKIRE-RJKHXGPOSA-N

Note

  • Spironolactone metabolite.

Molecular Formula

  • C23-H32-O3-S

Molecular Weight

  • 388.569
 
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Names and Synonyms

Name of Substance

  • 7-Thiomethylspirolactone

Synonyms

  • 7alpha-Thiomethyl-SL
  • 7alpha-Thiomethylspirolactone
  • 7alpha-Thiomethylspironolactone
  • UNII-0YU66JY4WL

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 38753-77-4

FDA UNII

  • 0YU66JY4WL

System Generated Number

  • 0038753774

Structure Descriptors

InChI

1S/C23H32O3S/c1-21-8-4-15(24)12-14(21)13-18(27-3)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)26-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18+,20+,21-,22-,23+/m0/s1

InChIKey

FWRDLPQBEOKIRE-RJKHXGPOSA-N

Smiles

O1C(CC[C@]21CC[C@H]1[C@@H]3[C@@H](CC4=CC(=O)CC[C@@]4([C@H]3CC[C@@]21C)C)SC)=O