Compound: PREGNENOLONE CARBONITRILE
SMILES: O=C([C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@@]4(C(C[C@@H](O)CC4)=CC3)C)CC2)C[C@H]1C#N)C)C
InChIKey: VSBHRRMYCDQLJF-ZDNYCOCVSA-N
Synonyms: PREGNENOLONE CARBONITRILE, 1434-54-4, Pregnenolone-16alpha-carbonitrile, Pregnenolone 16alpha-carbonitrile, 3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile, DTXSID7037262, BA9WH84QAJ, (3S,8S,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, CHEBI:35591, 3beta-hydroxy-20-oxopregn-5-ene-16alpha-carbonitrile, Pregnenolone 16 alpha Carbonitrile, Pregnenolone 16 alpha-Carbonitrile, DTXCID5017262, Pregn-5-ene-16-carbonitrile, 3-hydroxy-20-oxo-, (3beta,16alpha)-, SC4674, SC-4674, Carbonitrile, Pregnenolone, (3S,8S,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, 16 alpha-Carbonitrile, Pregnenolone, RefChem:175851, 5-Pregnen-3beta-ol-20-one-16alpha-carbonitrile, pregnenolone-carbonitrile, PCN, MLS000069563, Pregnenolone 16|A-carbonitrile, SMR000058819, Pregn-5-ene-16-carbonitrile, 3-hydroxy-20-oxo-, (3.beta.,16.alpha.)-, CCRIS 9224, VSBHRRMYCDQLJF-ZDNYCOCVSA-N, 16alpha-carbonitrile, pregnenolone, Opera_ID_595, Spectrum5_001981, UNII-BA9WH84QAJ, 5-Pregnen-3|A-ol-20-one-16|A-carbonitrile, BIDD:PXR0018, BSPBio_001063, GTPL2762, orb1306187, SCHEMBL1012160, Pregnenolone 16|_-carbonitrile, CHEMBL1400945, HMS1792E05, HMS1990E05, HMS2234D18, HMS3403E05, Tox21_303525, BDBM50248018, MFCD00079212, AKOS027381467, NCGC00023220-03, NCGC00023220-04, NCGC00023220-05, NCGC00023220-06, NCGC00023220-07, NCGC00023220-08, NCGC00257247-01, DA-57029, FP168503, MS-25223, SY261978, CAS-1434-54-4, HY-131723, CS-0139744, NS00134763, G12567, SR-01000000148, Q7239909, SR-01000000148-3, 5-Pregnen-3 beta -ol-20-one-16 alpha -carbonitrile, BRD-K39356024-001-02-4, 5-Pregnen-3beta-ol-20-one-16alpha-carbonitrile, >=97%, 5-PREGNEN-3.BETA.-OL-20-ONE-16.ALPHA.-CARBONITRILE, (3.BETA.,16.ALPHA.)-3-HYDROXY-20-OXOPREGN-5-ENE-16-CARBONITRILE
Theoretical properties:
molecular_formula: C22H31NO2
molecular_weight: 341.5 g/mol
exact_mass: 341.235479232 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 25
topological_polar_surface_area: 61.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Pregnenolone 16alpha-carbonitrile is an aliphatic nitrile. It is functionally related to a pregnenolone.
chembl: PREGNENOLONE CARBONITRILE  is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Pregnenolone (P5), or pregn-5-en-3β-ol-20-one, is an endogenous steroid and precursor/metabolic intermediate in the biosynthesis of most of the steroid hormones, including the progestogens, androgens, estrogens, glucocorticoids, and mineralocorticoids. In addition, pregnenolone is biologically active in its own right, acting as a neurosteroid.
In addition to its role as a natural hormone, pregnenolone has been used as a medication and supplement; for information on pregnenolone as a medication or supplement, see the pregnenolone (medication) article.