Compound: AZATADINE
SMILES: n1c2C(c3c(cccc3)CCc2ccc1)=C4CCN(C)CC4
InChIKey: SEBMTIQKRHYNIT-UHFFFAOYSA-N
Synonyms: AZATADINE, 3964-81-6, Azatadina, Azatadinum, 94Z39NID6C, DTXSID6022636, 6,11-Dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine, CHEBI:2946, DTXCID702636, 11-(1-Methyl-4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine, 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene, Idulamine, 11-(1-Methyl-4-piperidinylidene)-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridine, 11-(1-methylpiperidin-4-ylidene)-5,6-dihydrobenzo(1,2)cyclohepta(3,4-b)pyridine, 11-(1-methylpiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[3,4-b]pyridine, 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo(9.4.0.0^(3,8))pentadeca-1(11),3,5,7,12,14-hexaene, RefChem:560457, R06AX09, AzatadineMaleate, Azatadinum [INN-Latin], Azatadina [INN-Spanish], Azatadine (INN), 11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine, Azatidine, CHEMBL946, Trinalin, 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene, NCGC00182705-01, AZATADINE [INN], Azatadine [INN:BAN], 5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 6,11-dihydro-11-(1-methyl-4-piperidinylidene)-, CAS-3964-81-6, UNII-94Z39NID6C, 5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDINE, 6,11-DIHYDRO-11-(1-METHYL-4-PIPERIDINYLIDENE)-, AZATADINE [MI], AZATADINE [VANDF], AZATADINE [WHO-DD], SCHEMBL3721, GTPL7119, orb1704669, SCHEMBL29363595, SCHEMBL29746602, BDBM22868, HY-B0170, Tox21_112982, EBC-26479, AKOS030526143, Tox21_112982_1, CS-2047, DB00719, 6,11-Dihydro-11-(1-methyl-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine, NCGC00182705-02, NS00007570, C07774, D07482, EN300-127917, AB01563291_01, AB01563291_02, L001081, Q599160, BRD-K77821588-050-01-7, BRD-K77821588-364-01-2, 11-(1-Methyl-4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine #, 11-(N-methyl-4-piperidylidene)-6,11-dihydro-5H-benzo-[5,6]-cyclohepta-[1,2-b]-pyridine, 11-(N-methyl-4-piperidylidene)-6,11-dihydro-5H-benzo-[5,6]-cyclohepta[1,2-b]-pyridine, 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0,3,8]pentadeca-1(11),3(8),4,6,12,14-hexaene, 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8]pentadeca-1(15),3(8),4,6,11,13-hexaene, 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaene
Theoretical properties:
molecular_formula: C20H22N2
molecular_weight: 290.4 g/mol
exact_mass: 290.178298710 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 22
topological_polar_surface_area: 16.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 152-154
solubility: Very soluble
Descriptions:
pubchem: Azatadine is a benzo[5,6]cyclohepta[1,2-b]pyridine having a 1-methylpiperidin-4-ylidene group at the 11-position. It has a role as a H1-receptor antagonist and an anti-allergic agent. It is a tertiary amine and a benzocycloheptapyridine.
chebi: A benzo[5,6]cyclohepta[1,2-<em>b</em>]pyridine having a 1-methylpiperidin-4-ylidene group at the 11-position.
chembl: AZATADINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Azatadine (Optimine) is a first-generation antihistamine and anticholinergic drug that was synthesized in 1963 by Schering-Plough, a former American pharmaceutical company. It is a nitrogen analog of cyproheptadine.
It was patented in 1967. It has been succeeded by both loratadine and desloratadine. and marketing approvals have been widely withdrawn.