Pregnenolone 16α-carbonitrile

CAS Registry Number®

1434-54-4

CAS Name

Pregnenolone 16α-carbonitrile

Molecular Formula

C22H31NO2

Molecular Mass

341.49

Cite this Page

Pregnenolone 16α-carbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1434-54-4 (retrieved 2024-11-21) (CAS RN: 1434-54-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    225-228 °C

Source(s)

Other Names and Identifiers

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

InChIKey=VSBHRRMYCDQLJF-ZDNYCOCVSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C[C@@H](O)CC4)[H])[H])(C[C@@H](C#N)[C@@H]2C(C)=O)[H]

Canonical SMILES

N#CC1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1C(=O)C

Other Names for this Substance

  • Pregn-5-ene-16-carbonitrile, 3-hydroxy-20-oxo-, (3β,16α)-
  • Pregn-5-ene-16α-carbonitrile, 3β-hydroxy-20-oxo-
  • (3β,16α)-3-Hydroxy-20-oxopregn-5-ene-16-carbonitrile
  • 3β-Hydroxy-20-oxopregn-5-ene-16α-carbonitrile
  • PCN

View All

Deleted or Replaced CAS Registry Numbers

107316-48-3, 25875-43-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration