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Pregnenolone 16α-carbonitrile

Pregnenolone 16α-carbonitrile structure

Pregnenolone 16α-carbonitrile 

structure
  • CAS No:

    1434-54-4

  • Formula:

    C22H31NO2

  • Chemical Name:

    Pregnenolone 16α-carbonitrile

  • Synonyms:

    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;Pregnenolone 16α-carbonitrile;SC 4674;16α-Cyanopregnenolone;3β-Hydroxy-20-oxo-5-pregnen-16α-carbonitrile;Pregn-5-ene-3β-ol-20-oxo-16α-carbonitrile;Pregnenolone carbonitrile;5-Pregnen-3β-ol-20-one-16α-carbonitrile;107316-48-3;25875-43-8

Description

Pregnenolone 16alpha-carbonitrile is an aliphatic nitrile. It derives from a pregnenolone.|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.

Pregnenolone 16α-carbonitrile Basic Attributes

341.49

341.49

DTXSID7037262

Characteristics

61.09000

3.22

1.13±0.1 g/cm3(Predicted)

225-228 °C @ Solvent: Methanol, Benzene

508.5±50.0 °C(Predicted)

93 °C

1.558

Safety Information

NONH for all modes of transport

3

TU4536500

Drug Information

16 alpha-Carbonitrile, Pregnenolone

Computed Properties

Molecular Weight:341.5
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:341.235479232
Monoisotopic Mass:341.235479232
Topological Polar Surface Area:61.1
Heavy Atom Count:25
Complexity:673
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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