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Substance Name: 7alpha-Thiospironolactone
RN: 38753-76-3
UNII: 4LH70U7H4Z
InChIKey: NZCDWYJROUPYPT-NYTLBARGSA-N

Note

  • Active metabolite of spironolactone.

Molecular Formula

  • C22-H30-O3-S

Molecular Weight

  • 374.542
 
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Names and Synonyms

Name of Substance

  • 7alpha-Thiospironolactone

Synonyms

  • 17alpha-Hydroxy-7alpha-mercapto-3-oxopregn-4-ene-21-carboxylic acid gamma-lactone
  • Deacetylspironolactone
  • SC 24813
  • UNII-4LH70U7H4Z

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 38753-76-3

FDA UNII

  • 4LH70U7H4Z

System Generated Number

  • 0038753763

Structure Descriptors

InChI

1S/C22H30O3S/c1-20-7-3-14(23)11-13(20)12-17(26)19-15(20)4-8-21(2)16(19)5-9-22(21)10-6-18(24)25-22/h11,15-17,19,26H,3-10,12H2,1-2H3/t15-,16-,17+,19+,20-,21-,22+/m0/s1

InChIKey

NZCDWYJROUPYPT-NYTLBARGSA-N

Smiles

C1CC(O[C@@]21CC[C@H]1[C@H]3[C@H](CC[C@@]21C)[C@@]1(CCC(C=C1C[C@H]3S)=O)C)=O