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Substance Name: Pregnenolone carbonitrile
RN: 1434-54-4
UNII: BA9WH84QAJ
InChIKey: VSBHRRMYCDQLJF-ZDNYCOCVSA-N

Note

  • A catatoxic steroid and microsomal enzyme inducer having significant effects on the induction of cytochrome P450. It has also demonstrated the potential for protective capability against acetaminophen-induced liver damage.

Molecular Formula

  • C22-H31-N-O2

Molecular Weight

  • 341.492
 
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Names and Synonyms

Name of Substance

  • Pregnenolone carbonitrile

MeSH Heading

  • Pregnenolone carbonitrile

Synonyms

  • 3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile
  • CCRIS 9224
  • Pregnenolone 16alpha-carbonitrile
  • Pregnenolone carbonitrile
  • Pregnenolone-16alpha-carbonitrile
  • UNII-BA9WH84QAJ

Systematic Name

  • Pregn-5-ene-16-carbonitrile, 3-hydroxy-20-oxo-, (3beta,16alpha)-

Registry Numbers

CAS Registry Number

  • 1434-54-4

FDA UNII

  • BA9WH84QAJ

System Generated Number

  • 0001434544

Structure Descriptors

InChI

InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1

InChIKey

VSBHRRMYCDQLJF-ZDNYCOCVSA-N

Smiles

CC(=O)[C@H]1[C@@H](C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C#N