Compound: med.21724, Compound Benztropine
SMILES: O([C@@H]1C[C@H]2N(C)[C@@H](C1)CC2)C(c3ccccc3)c4ccccc4
InChIKey: GIJXKZJWITVLHI-PMOLBWCYSA-N
Synonyms: med.21724, Compound Benztropine, RefChem:1088905, benztropine, Benzatropine, 86-13-5, Cobrentin, Tropine benzohydryl ether, Benzatropina, Benzatropinum, Benztropinum, Cogentine, Akitan, 3endo-benzhydryloxytropane, Benzatropinum [INN-Latin], Benzatropina [INN-Spanish], Cogentinol, 3alpha-(diphenylmethoxy)tropane, HSDB 3014, NK 02, (1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane, 1NHL2J4X8K, Apo Benztropine, DTXSID9022659, 3alpha-(Diphenylmethoxy)-1alphaH,5alphaH-tropane, NK-02, Benzatropine (INN), Benzatropine [INN], Benzhydryl 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ether, 3alpha-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane, NCGC00159471-02, (3-endo)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane, Benzatropine mesilate, DTXCID502659, (1S,5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane, 132-17-2, (1R,3r,5S)-3-(Diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane, CAS-86-13-5, Benzatropine [INN:BAN], UNII-1NHL2J4X8K, 8-Azabicyclo(3.2.1)octane, 3-(diphenylmethoxy)-8-methyl-, endo-, 8-Azabicyclo[3.2.1]octane, 3-(diphenylmethoxy)-8-methyl-, (3-endo)-, 8-AZABICYCLO(3.2.1)OCTANE, 3-(DIPHENYLMETHOXY)-8-METHYL-, (3-ENDO)-, benztropine-mesylate, CXQ, BENZTROPINE [MI], NCGC00094600-01, BENZTROPINE [HSDB], 3-(benzhydryloxy)-8-methyl-8-azabicyclo[3.2.1]octane, BENZTROPINE [VANDF], 3alpha-diphenylmethoxytropane, 1.alpha.H,5.alpha.H-Tropane, 3.alpha.-(diphenylmethoxy)-, SCHEMBL35388, BENZATROPINE [WHO-DD], 1alphaH,5alphaH-tropane, 3alpha-(diphenylmethoxy)-, 8-Azabicyclo[3.2.1]octane, 3-(diphenylmethoxy)-8-methyl-, endo-, CHEBI:3048, CHEMBL438151, GTPL7601, orb1703693, SCHEMBL5960155, SCHEMBL8659140, 8-Azabicyclo[3.2.1]octane,3-(diphenylmethoxy)-8-methyl-, (3-endo)-, CHEMBL1201203, CHEMBL1618180, 3-alpha-(diphenylmethoxy)tropane, CHEBI:94707, BDBM429529, GLXC-20406, Tox21_111303, Tox21_111695, BDBM50366775, EBC-26566, EX-A14955, AKOS025310493, DB00245, NCGC00013495-15, NCGC00013495-18, NCGC00373219-02, NCGC00507745-01, C06846, D07511, AB01566865_01, EN300-6492989, Q415026, BRD-K68804560-066-01-2, 1-alpha-H,5-alpha-H-Tropane, 3-alpha-(diphenylmethoxy)-, (1R,5S)-3-[di(phenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane, (3-endo)-3-[(diphenylmethyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane
Theoretical properties:
molecular_formula: C21H25NO
molecular_weight: 307.4 g/mol
exact_mass: 307.193614421 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 4
heavy_atom_count: 23
topological_polar_surface_area: 12.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Benzatropine is tropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (endo-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulphonate salt) in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments. It has a role as a oneirogen, an antiparkinson drug, a muscarinic antagonist, a parasympatholytic and an antidyskinesia agent.
chebi: Tropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (<em>endo</em>-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulphonate salt) in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments.
chembl: BENZTROPINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.