Compound: benzquinamide
SMILES: O=C(N(CC)CC)C1C(OC(=O)C)CC2c3c(cc(OC)c(c3)OC)CCN2C1
InChIKey: JSZILQVIPPROJI-UHFFFAOYSA-N
Synonyms: benzquinamide, Promecon, 63-12-7, Emete-con, Emeticon, Benzochinamide, Benzoquinamide, Benzquinamidum, benzquinamida, P-2647, NSC-64375, DTXSID9022657, 2-Hydroxy-3-diethylcarbamyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-benzoquinolizine acetate, 2H-Benzo(a)quinolizine-3-carboxamide, N,N-diethyl-1,3,4,6,7,11b-hexahydro-2-hydroxy-9,10-dimethoxy-, acetate (ester), NSC-108159, NSC-169193, 2-Acetoxy-3-(N,N-diethylcarboxamido)-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-benzopyridocoline, 2-Acetoxy-3-diethylcarbamyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11b-benzo(a)quinolizine, DTXCID702657, 2-(Acetyloxy)-N,N-diethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo(a)quinolizine-3-carboxamide, CHEBI:27662, NSC64375, 2H-Benzo(a)quinolizine-3-carboxamide, 2-(acetyloxy)-N,N-diethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, 2H-Benzo[a]quinolizine-3-carboxamide, 2-(acetyloxy)-N,N-diethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, 2-(acetyloxy)-N,N-diethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizine-3-carboxamide, 3-(diethylcarbamoyl)-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl acetate, 3-(diethylcarbamoyl)-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido(2,1-a)isoquinolin-2-yl acetate, RefChem:118822, 0475EA27Q3, Benzquinamid, Benzchinamide, [3-(diethylcarbamoyl)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] acetate, P 2647, P2647;BZQ; Benzoquinamide, Benzchinamidum, N,N-Diethyl-1,3,4,6,7,11b-hexahydro-2-hydroxy-9,10-dimethoxy-2H-benzo(a)quinolizine-3-carboxamide acetate (ester), Benzquinamide (USAN), Benzoquinamida, 3-(diethylcarbamoyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl acetate, Benzquinamidum [INN-Latin], Benzoquinamida [INN-Spanish], Benzchinamid, Benzquinamide [USAN:INN:BAN], HSDB 3295, 2H-Benzo[a]quinolizine-3-carboxamide,N-diethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, (2.alpha.,3.beta.,11b.alpha.)-, 2H-Benzo[a]quinolizine-3-carboxamide,N-diethyl-1,3.alpha.,4,6,7,11b.beta.-hexahydro-2.beta.-hydroxy-9,10-dimethoxy-, acetate (ester), N,N-Diethyl-1,3,4,6,7,11b-hexahydro-2-hydroxy-9,10-dimethoxy-2H-benzo[a]quinolizine-3-carboxamide acetate (ester), 3-Diethylcarbamoyl-2,3,4,6,7,11b-hexahydro-9,10-dimethoxy-1H-benzo(a)chinolizin-2-yl acetat, SCHEMBL49405, N,N-Diethyl-1,3,4,6,7,11b-hexahydro-2-hydroxy-9,10-dimethoxy-2H-benzo(a)quinolizine-3-carboxamide acetate, GTPL7124, orb1992737, CHEMBL1201250, SCHEMBL29379578, GLXC-06140, Tox21_113977, HY-U00244, MFCD00865551, NSC108159, NSC169193, AKOS037643551, CS-7421, DB00767, CAS-63-12-7, NCGC00274274-01, 2-(acetoxy)-N,N-diethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizine-3-carboxamide, 3-[(diethylamino)carbonyl]-9,10-bis(methyloxy)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl acetate, AS-16851, DA-51031, NS00001225, D00243, L000844, Q4890814, 2-(Acetoxy)-N,N-diethyl-1,3,4,6,7,11b-hexahydro-9,10-diemethoxy-2H-benzo[a]quinolizine-3-carboxamide, 3-[(Diethylamino)carbonyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl acetate, 3-[(Diethylamino)carbonyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl acetate #
Theoretical properties:
molecular_formula: C22H32N2O5
molecular_weight: 404.5 g/mol
exact_mass: 404.23112213 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 7
heavy_atom_count: 29
topological_polar_surface_area: 68.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: CRYSTALS FROM DIISOPROPYL ETHER
color: CRYSTALS FROM DIISOPROPYL ETHER
melting_point: 130-131.5
Descriptions:
pubchem: Benzquinamide is a monocarboxylic acid amide. It has a role as an antipsychotic agent, a sedative, a H1-receptor antagonist, a muscarinic antagonist and an antiemetic.
chembl: BENZQUINAMIDE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Benzquinamide is a discontinued antiemetic drug used in post-operative care. It was first synthesised by Pfizer in the 1960s.