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Substance Name: Ketotrilostane
RN: 94152-62-2
InChIKey: GGERVOWULWKCTQ-SXFTZYMTSA-N

Note

  • Metabolite of trilostane.

Molecular Formula

  • C20-H25-N-O3

Molecular Weight

  • 327.4215
 
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Names and Synonyms

Results Name

  • Ketotrilostane

Name of Substance

  • 17-Ketotrilostane

Synonym

  • 17-Deoxy-17-oxotrilostane

Systematic Name

  • Androst-2-ene-2-carbonitrile, 4,5-epoxy-3-hydroxy-17-oxo-, (4alpha,5alpha)-

Registry Numbers

CAS Registry Number

  • 94152-62-2

System Generated Number

  • 0094152622

Structure Descriptors

InChI

1S/C20H25NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-14,17,23H,3-9H2,1-2H3/t12-,13-,14-,17+,18-,19+,20+/m0/s1

InChIKey

GGERVOWULWKCTQ-SXFTZYMTSA-N

Smiles

C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(=C(C[C@]35C)C#N)O)[C@@H]1CCC2=O