Compound: TOFENACIN
SMILES: O(C(c1c(cccc1)C)c2ccccc2)CCNC
InChIKey: PNYKGCPSFKLFKA-UHFFFAOYSA-N
Synonyms: TOFENACIN, 15301-93-6, demethylorphenadrine, Nororphenadrine, Tofenacina, Tofenacinum, J8.547B, C4A112M10H, Ethanamine, N-methyl-2-((2-methylphenyl)phenylmethoxy)-, Ethanamine, N-methyl-2-[(2-methylphenyl)phenylmethoxy]-, RefChem:933164, N-methyl-2-(o-methyl-alpha-phenylbenzyloxy)ethyl amine, 239-338-0, Tofenacine, Elamol, Tofenacin, (+)-, Tofenacin, (-)-, N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine, WV5MS5T7YD, D67B6M43WW, BS 7331 hydrochloride, N-Demethylorphenadrine hydrochloride, BS 7331, 33431-04-8, 33431-05-9, NSC113809, NSC169432, Tofenacin [INN:BAN], Tofenacine [INN-French], Tofenacinum [INN-Latin], Tofenacina [INN-Spanish], N-Methyl-2-[(o-methyl-.alpha.-phenylbenzyl)oxy]ethylamine, UNII-C4A112M10H, N-METHYL-2-((O-METHYL-.ALPHA.-PHENYLBENZYL)OXY)ETHYLAMINE, N-(Methylamino)ethyl 2-methylbenzhydryl ether hydrochloride, EINECS 239-338-0, Phenyl-(o-tolylmethyl) (methylamino)ethyl ether hydrochloride, Tofenacin (free base), N-Demethyl orphenadrine, TOFENACIN [INN], TOFENACIN [MI], UNII-WV5MS5T7YD, TOFENACIN [WHO-DD], UNII-D67B6M43WW, SCHEMBL49290, orb1738993, CHEMBL2110923, DTXSID50864578, CHEBI:135046, NS00051629, N-methyl-2-[o-tolyl(phenyl)methoxy]ethanamine, Q7812962, N-methyl-2-[(o-methyl-a-phenylbenzyl)oxy]-ethylamine, N-Methyl-2-((2-methylphenyl)(phenyl)methoxy)ethanamine, {[2-(Phenyl-o-tolylmethoxy)ethyl]methylamine} hydrochloride, N-Methyl-2-[(2-methylphenyl)(phenyl)methoxy]ethan-1-amine, N-Methyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanamine #, N-Methyl-N-(2-((2-methylphenyl)(phenyl)methoxy)ethyl)amine, {N-Methyl-2-[.alpha.-(2-tolylbenzyl)oxy]ethylamine} hydrochloride, Ethylamine, N-methyl-2-((O-methyl-alpha-phenylbenzyl)oxy)-, (+)-, Ethylamine, N-methyl-2-((O-methyl-alpha-phenylbenzyl)oxy)-, (-)-, {N-Methyl-2-[(o-methyl-.alpha.-phenylbenzyl)oxy]ethylamine} hydrochloride, Ethanamine, {N-methyl-2-[(2-methylphenyl)phenylmethoxy]-,} hydrochloride, Ethylamine, {N-methyl-2-[(o-methyl-.alpha.-phenylbenzyl)oxy]-,} hydrochloride, ETHYLAMINE, N-METHYL-2-((O-METHYL-.ALPHA.-PHENYLBENZYL)OXY)-, (+)-, ETHYLAMINE, N-METHYL-2-((O-METHYL-.ALPHA.-PHENYLBENZYL)OXY)-, (-)-
Theoretical properties:
molecular_formula: C17H21NO
molecular_weight: 255.35 g/mol
exact_mass: 255.162314293 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 6
heavy_atom_count: 19
topological_polar_surface_area: 21.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Tofenacin is a diarylmethane.
chembl: TOFENACIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Tofenacin is an antidepressant drug with a tricyclic-like structure which was developed and marketed in the United Kingdom and Italy in 1971 and 1981, respectively, by Brocades-Stheeman & Pharmacia (now part of Astellas Pharma). It acts as a serotonin-norepinephrine reuptake inhibitor, and based on its close relation to orphenadrine, may also possess anticholinergic and antihistamine properties.  Tofenacin is also the major active metabolite of orphenadrine and likely plays a role in its beneficial effects against depressive symptoms seen in Parkinson's disease patients.