Compound: Methadone intermediate
SMILES: N#CC(c1ccccc1)(c2ccccc2)CC(N(C)C)C
InChIKey: GJJQIGFCGLPOQK-UHFFFAOYSA-N
Synonyms: Methadone intermediate, Premethadone, Didiavalo, 4-(Dimethylamino)-2,2-diphenylvaleronitrile, Premethadon, 4-Dimethylamino-2,2-diphenylvaleronitrile, 2,2-Diphenyl-4-(dimethylamino)valeronitrile, Methadon-zwischenprodukt, 2,2-Diphenyl-4-dimethylaminovaleronitrile, NSC 2089, 0GYB2HJA89, DTXSID1048912, NSC-2089, EINECS 204-755-9, NSC-50382, IDS-NM-003, 4-cyano-2-dimethylamino-4,4-diphenyl butane, DTXCID4028838, Valeronitrile, 4-(dimethylamino)-2,2-diphenyl-, Benzeneacetonitrile, alpha-(2-(dimethylamino)propyl)-alpha-phenyl-, (4RS)-4-(Dimethylamino)-2,2-diphenylpentanenitrile, METHADONE HYDROCHLORIDE IMPURITY B [EP IMPURITY], LEVOMETHADONE HYDROCHLORIDE IMPURITY B [EP IMPURITY], Benzeneacetonitrile, .alpha.-[2-(dimethylamino)propyl]-.alpha.-phenyl-, METHADONE-INTERMEDIATE, 4-CYANO-2-DIMETHYLAMINO-4,4-DIPHENYL BUTANE, BENZENEACETONITRILE, .ALPHA.-(2-(DIMETHYLAMINO)PROPYL)-.ALPHA.-PHENYL-, METHADONE HYDROCHLORIDE IMPURITY B (EP IMPURITY), LEVOMETHADONE HYDROCHLORIDE IMPURITY B (EP IMPURITY), RefChem:586923, DIDIAVALO, (+-)-, Valeronitrile, 4-(dimethylamino)-2,2-diphenyl-(8CI), Benzeneacetonitrile, alpha-(2-(dimethylamino)propyl)-alpha-phenyl-(9CI), 125-79-1, 4-(Dimethylamino)-2,2-diphenylpentanenitrile, EINECS 278-172-3, (1)-4-(Dimethylamino)-2,2-diphenylpentanonitrile, NCGC00247341-02, Valeronitrile,2-diphenyl-, 75281-86-6, Methadone intermediate (1mg/ml in Acetonitrile), UNII-0GYB2HJA89, NSC2089, (4RS)-4-(Dimethylamino)-2,2-diphenylpentanenitrile (Didiavalo; Premethadone; Methadone Nitrile), 2,2-Diphenyl-4-dimethylaminopentanenitrile, 4-cyano-2-dimethylamino-4,4-diphenylbutane, METHADONE-INTERMEDIATE, MLS002320724, SCHEMBL504205, DEA No. 9254, CHEMBL2362721, DIDIAVALO, (+/-)-, Benzeneacetonitrile, a-[2-(dimethylamino)propyl]-a-phenyl-, HMS2272J04, NSC50382, Tox21_112859, MFCD00068847, AKOS025392613, BS-5037, NCGC00247341-01, CAS-125-79-1, SMR001338870, 4-dimethylamino-2,2-diphenylpentanenitrile, NS00024031, 4-(dimethylamino)-2,2-diphenyl-pentanenitrile, C22686, 4-(Dimethylamino)-2,2-diphenylpentanenitrile #, butane, 1-cyano-3-dimethylamino-1,1-diphenyl-, (+/-)-4-Dimethylamino-2,2-diphenylvaleronitrile, Methadone Intermediate (1 mg/mL in Acetonitrile), (4RS)-4-(dimethylamino)-2,2- diphenylpentanenitrile, Q12470029, propane, 1-cyano-3-dimethylamino-3-methyl-1,1-diphenyl-, 4-Cyano-2-dimethylamino-4,4-diphenylbutane (methadone-intermediate), Levomethadone Hydrochloride EP Impurity B; Methadone EP Impurity B
Theoretical properties:
molecular_formula: C19H22N2
molecular_weight: 278.4 g/mol
exact_mass: 278.178298710 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 5
heavy_atom_count: 21
topological_polar_surface_area: 27 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Methadone intermediate (pre-methadone, methadone nitrile, dimethylaminodiphenylbutanonitrile) is a methadone precursor scheduled by UN Single Convention on Narcotic Drugs.  It is a Schedule II Narcotic controlled substance in the United States and has an ACSCN of 9254.  The 2014 annual manufacturing quota was 32 875 kilos. It is listed as a Schedule I drug in Canada, but is only significant as a precursor for methadone, as it does not have analgesic activity in its own right, though it does show some atropine-like activity.