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][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]4(C)[C@H]([C@@H](C[C@@]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
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