Compound: epinastine
SMILES: N1=C(N2c3c(cccc3)Cc4c(C2C1)cccc4)N
InChIKey: WHWZLSFABNNENI-UHFFFAOYSA-N
Synonyms: epinastine, 80012-43-7, Epinastina, Epinastinum, (+-)-Epinastine, Purivist, 3-Amino-9,13b-dihydro-1H-dibenz(c,f)imidazo(1,5-a)azepine, 3-Amino-9,13b-dihydro-1H-dibenz[c,f]imidazo[1,5-a]azepine, Q13WX941EF, WAL-801, DTXSID2048371, CHEBI:51032, 1H-Dibenz(c,f)imidazo(1,5-a)azepin-3-amino, 9,13b-dihydro-, 3-amino-9,13b-dihydro-1H-benz(c,f)imidazo(1,5a)azepine, RefChem:56561, DTXCID8028345, R06AX24, S01GX10, 2,4-diazatetracyclo(12.4.0.02,?.0?,12)octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine, 616-785-3, Epinastinum [Latin], Epinastina [Spanish], Epinastine [INN], 9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine, (+/-)-Epinastine, Epinastine (INN), 2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine, MFCD00865648, CHEMBL1106, WAL 801, Purivist (TN), Epinastine [INN:BAN], NCGC00165791-02, UNII-Q13WX941EF, 1H-Dibenz[c,f]imidazo[1,5-a]azepin-3-amine, 9,13b-dihydro-, Epinastine?, 1H-DIBENZ(C,F)IMIDAZO(1,5-A)AZEPIN-3-AMINE, 9,13B-DIHYDRO-, Epinastinehydrochloride, EPINASTINE [MI], EPINASTINE [VANDF], EC 616-785-3, EPINASTINE [WHO-DD], SCHEMBL18794, GTPL7176, orb1909018, SCHEMBL29945140, 9,13b-Dihydro-1H-dibenz(c,f)imidazo(1,5a)azepin-3-amin, 9,13b-Dihydro-1H-dibenz[c,f]imidazo[1,5-a]azepin-3- amine, EX-A4762, HY-B0640, MSK14383, BDBM50131441, EBC-26318, AKOS015895203, DB00751, SDCCGSBI-0633722.P001, MRF-0000757, NCGC00165791-01, NCGC00165791-03, NCGC00165791-11, AC-24691, AS-12835, NS00005464, A12854, D07900, EN300-18166758, L000716, Q632405, BRD-A98990573-003-01-3, 9,13B-DIHYDRO-1H-DIBENZ(C,F)IMIDAZO(1,5-A)AZEPIN-3-AMINE, 2,4-diazatetracyclo[12.4.0.0^{2,6}.0^{7,12}]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine
Theoretical properties:
molecular_formula: C16H15N3
molecular_weight: 249.31 g/mol
exact_mass: 249.126597491 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 19
topological_polar_surface_area: 41.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 205-208 °C
solubility: 1.63e-01 g/L
Descriptions:
pubchem: Epinastine is a benzazepine that is 6,11-dihydro-5H-dibenzo[b,e]azepine in which the azepine ring is fused to the e side of 4,5-dihydro-1H-imidazol-2-amine. It has a role as a H1-receptor antagonist, a histamine antagonist, an anti-allergic agent and an ophthalmology drug. It is a member of guanidines and a benzazepine.
chebi: A benzazepine that is 6,11-dihydro-5<em>H</em>-dibenzo[<em>b</em>,<em>e</em>]azepine in which the azepine ring is fused to the <em>e</em> side of 4,5-dihydro-1<em>H</em>-imidazol-2-amine.
chembl: EPINASTINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Epinastine (brand names Alesion, Elestat, Purivist, Relestat) is a second-generation antihistamine and mast cell stabilizer that is used in eye drops to treat allergic conjunctivitis. It is produced by Allergan and marketed by Inspire in the United States. It is highly selective for the H1 receptor and does not cross the blood-brain-barrier.
It was patented in 1980 and came into medical use in 1994.