Compound: emedastine
SMILES: O(CCn1c(nc2c1cccc2)N3CCN(C)CCC3)CC
InChIKey: KBUZBQVCBVDWKX-UHFFFAOYSA-N
Synonyms: emedastine, 87233-61-2, Emedastina, Emedastinum, 1-(2-Ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzimidazole, 9J1H7Y9OJV, 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-1,3-benzodiazole, 1-[2-(ethoxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazole, CHEBI:4779, DTXSID7048243, 1-(2-Ethoxy-ethyl)-2-(4-methyl-[1,4]diazepan-1-yl)-1H-benzoimidazole, 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-, KG 2413, 1-(2-(ethoxy)ethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole, 1-(2-Ethoxy-ethyl)-2-(4-methyl-(1,4)diazepan-1-yl)-1H-benzoimidazole, RefChem:590745, DTXCID8028218, S01GX06, Emedastine [INN], Emedastinum [INN-Latin], 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1h-benzo[d]imidazole, Emedastina [INN-Spanish], 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole, C17H26N4O, Emedastine (INN), CHEMBL594, Emedastine [INN:BAN], NCGC00181341-01, UNII-9J1H7Y9OJV, Emedastine?, 1-Methyl-4-(1-(2-ethoxyethyl)-1H-benzimidazo)-2-yl)(1,4)diazepane, MFCD00865647, Emedastine (Standard), Emedastine Impurity 14, EMEDASTINE [MI], EMEDASTINE [VANDF], EMEDASTINE [WHO-DD], SCHEMBL29770, EMEDASTINE [EMA EPAR], GTPL7174, orb1303482, SCHEMBL29493445, HMS3886O14, HMS5085E09, EX-A1371, MSK14390, 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole, BDBM50019624, EBC-26545, s5659, AKOS037515523, CCG-267493, DB01084, HY-108411R, AC-35544, BS-17691, DA-73082, HY-108411, CS-0028590, NS00008992, C07785, D07890, D81889, EN300-22848873, L001093, Q5370305, BRD-K15010214-313-01-6, BRD-K15010214-364-01-9, BRD-K15010214-364-02-7, 1-(2-ethoxyethyl)-2-(4-methyl-1-homopiperazinyl) benzimidazole, 1-(2-Ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-1,3-benzimidazole, 1-methyl-4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepane
Theoretical properties:
molecular_formula: C17H26N4O
molecular_weight: 302.4 g/mol
exact_mass: 302.21066147 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 5
heavy_atom_count: 22
topological_polar_surface_area: 33.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: Soluble (difumarate formulation)
Descriptions:
pubchem: Emedastine is 1-Methyl-1,4-diazepane in which the hydrogen attached to the nitrogen at position 4 is substituted by a 1-(2-ethoxyethyl)-1H-benzimidazol-2-yl group. A relatively selective histamine H1 antagonist, it is used as the difumatate salt for allergic rhinitis, urticaria, and pruritic skin disorders, and in eyedrops for the symptomatic relief of allergic conjuntivitis. It has a role as a H1-receptor antagonist, an anti-allergic agent and an antipruritic drug.
chebi: 1-Methyl-1,4-diazepane in which the hydrogen attached to the nitrogen at position 4 is substituted by a 1-(2-ethoxyethyl)-1<em>H</em>-benzimidazol-2-yl group. A relatively selective histamine H<small><sub>1</sub></small> antagonist, it is used as the difumatate salt for allergic rhinitis, urticaria, and pruritic skin disorders, and in eyedrops for the symptomatic relief of allergic conjuntivitis.
chembl: EMEDASTINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Emedastine (trade name Emadine) is a second generation antihistamine used in eye drops to alleviate the symptoms of allergic conjunctivitis. It acts as a H1 receptor antagonist. It works by blocking the action of histamine that causes allergic symptoms. It is used in form of the difumarate. 
The emedastine difumarate is a white, crystalline, water-soluble fine powder. Emedastine eye drops is usually applied twice a day to the affected eye. When the patients with allergic conjunctivitis were treated with 0.05% emedastine difumarate ophthalmic solution for six weeks, the signs and symptoms such as redness, itching and swelling of the eyes were relieved. Emedastine appears to be devoid of effects on adrenergic, dopaminergic and serotonin receptors. This drug was developed by Alcon, which is global medical company specializing in eye care products.