pregnenolone carbonitrile

PubChem Notes:

Pregnenolone Carbonitrile 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: C22H31NO2


InChI: InChI=1/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-ZDNYCOCVBP
SMILES: [H][[email protected]@]12CC=C3C[[email protected]@H](O)CC[[email protected]]3(C)[[email protected]@]1([H])CC[[email protected]]4(C)[[email protected]]([[email protected]@H](C[[email protected]@]24[H])C#N)C(C)=O

CAS number 1434-54-4

Names:
    CHEBI:35591
    PCN
    PREGNENOLONE CARBONITRILE
    pregnenolone carbonitrile
    Pregnenolone 16alpha-carbonitrile
    pregnenolone 16alpha-carbonitrile
    pregnenolone 16α-carbonitrile
    (3S,8R,9S,10R,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile
    1434-54-4
    3beta-hydroxy-20-oxopregn-5-ene-16alpha-carbonitrile
    3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile
    3β-hydroxy-20-oxo-5-pregnene-16α-carbonitrile

Registries:
    PubChem CID 15032
    Beilstein =2706221
    CAS 1434-54-4 (from NIST)
    ChEBI 35591
    PubChem ID 11533604