Compound: ebastine
SMILES: O=C(c1ccc(C(C)(C)C)cc1)CCCN2CCC(OC(c3ccccc3)c4ccccc4)CC2
InChIKey: MJJALKDDGIKVBE-UHFFFAOYSA-N
Synonyms: ebastine, 90729-43-4, Kestine, Ebastina, Ebastinum, RP 64305, LAS-W-090, TQD7Q784P1, DTXSID6046472, RP-64305, DTXCID4026472, 4-Diphenylmethoxy-1-(3-(4-tert-butylbenzoyl)propyl)piperidine, RefChem:590526, R06AX22, 1-(4-(1,1-Dimethylethyl)phenyl)-4-(4-(diphenylmethoxy)piperidin-1-yl)butan-1-one, 635-609-6, Ebastel, Ebastin, Estivan, Bactil, Kestin, LAS W-090, 1-(4-tert-butylphenyl)-4-[4-(diphenylmethoxy)piperidin-1-yl]butan-1-one, 1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(diphenylmethoxy)-1-piperidinyl]-1-butanone, MFCD00865661, 4-(4-(benzhydryloxy)piperidin-1-yl)-1-(4-(tert-butyl)phenyl)butan-1-one, C32H39NO2, LAS-W 090;RP64305, RP64305, 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one, CHEMBL305660, NCGC00164603-01, 1-(4-(1,1-Dimethylethyl)phenyl)-4-(4-(diphenylmethoxy)-1-piperidinyl)-1-butanone, Ebastinum [Latin], Ebastina [Spanish], Evastel, Bastel, CAS-90729-43-4, UNII-TQD7Q784P1, Ebastine [USAN:INN:BAN], 4-(4-(benzhydryloxy)piperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one, 4-[4-(Benzhydryloxy)piperidin-1-yl]-1-(4-tert-butylphenyl)butan-1-one, Bastel;, Ebastine CRS, No-Sedat, Kestine (TN), Ebastine (Standard), 4'-tert-Butyl-4-(4-(diphenylmethoxy)piperidino)butyrophenone, EBASTINE [USAN], EBASTINE [INN], EBASTINE [JAN], EBASTINE [MI], 4-(4-benzhydryloxy-1-piperidyl)-1-(4-tert-butylphenyl)butan-1-one, EBASTINE [MART.], EBASTINE [WHO-DD], SCHEMBL18467, Ebastine - Bio-X trade mark, EBASTINE [EP IMPURITY], Ebastine (JP18/USAN/INN), orb1305656, orb3025594, EBASTINE [EP MONOGRAPH], BDBM22873, CHEBI:31528, HY-B0674R, GLXC-07716, HMS3261I03, HMS3887C19, HMS5087I18, HY-B0674, MSK14380, RYB95313, Tox21_112225, Tox21_500361, BBL029069, Ebastine, >=98% (HPLC), solid, EBC-27173, s4262, STK624411, AKOS005557491, Tox21_112225_1, CCG-221665, DB11742, FE22636, KS-1349, LP00361, SDCCGSBI-0633701.P001, 1-Butanone, 1-(4-(1,1-dimethylethyl)phenyl)-4-(4-(diphenylmethoxy)-1-piperidinyl)-, NCGC00164603-02, NCGC00164603-04, NCGC00164603-05, NCGC00164603-11, NCGC00261046-01, AC-15213, AC-30629, BE164400, SY053090, DB-057220, E0925, NS00002898, W-090, C77079, D01478, AB01325291-02, EN300-7370483, SR-01000883997, Q2327739, SR-01000883997-1, BRD-K13314656-001-01-0, 4-diphenylmethoxy-1[3-(4-tert-butylbenzoyl)propyl]-piperidine, 4-[4-(Benzhydryloxy)-1-piperidyl]-1-[4-(tert-butyl)phenyl]-1-butanone
Theoretical properties:
molecular_formula: C32H39NO2
molecular_weight: 469.7 g/mol
exact_mass: 469.298079487 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 10
heavy_atom_count: 35
topological_polar_surface_area: 29.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Ebastine is an organic molecular entity.
chembl: EBASTINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Ebastine is a H1 antihistamine with low potential for causing drowsiness.
It does not penetrate the blood–brain barrier to a significant amount and thus combines an effective block of the H1 receptor in peripheral tissue with a low incidence of central side effects, i.e. seldom causing sedation or drowsiness.
It was patented in 1983 by Almirall S.A  and came into medical use in 1990. The substance is often provided in micronised form due to poor water solubility.