The Ebastine, with the CAS registry number 90729-43-4, has the systematic name of 1-(4-tert-butylphenyl)-4-[4-(diphenylmethoxy)piperidin-1-yl]butan-1-one. It is a kind of white to off-white powder, and belongs to the following product categories: Active Pharmaceutical Ingredients; Intermediates & Fine Chemicals; Pharmaceuticals. And the molecular formula of this chemical is C₃₂H₃₉NO₂.

The physical properties of Ebastine are as following: (1)ACD/LogP: 7.79; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.06; (4)ACD/LogD (pH 7.4): 6.68; (5)ACD/BCF (pH 5.5): 902.05; (6)ACD/BCF (pH 7.4): 37990.73; (7)ACD/KOC (pH 5.5): 757.58; (8)ACD/KOC (pH 7.4): 31906.18; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 144.65 cm³; (15)Molar Volume: 428.5 cm³; (16)Polarizability: 57.34×10^-24cm³; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 314.5 °C; (20)Enthalpy of Vaporization: 88.85 kJ/mol; (21)Boiling Point: 596.3 °C at 760 mmHg; (22)Vapour Pressure: 3.47E-14 mmHg at 25°C.

Preparation and uses of Ebastine: It can start with the alkylation of 4-piperidinol with compound (I) to give compound (II). And then alkylate the compound (II) with diphenylmethyl bromide, the aim product is obtained.

→Ebastine

Uses of Ebastine: It is usually used as non-sedating H1 antihistamine mainly for allergic rhinitis and chronic idiopathic urticaria. It does not penetrate the blood-brain barrier and thus allows an effective block of the H1 receptor in peripheral tissue without a central side effect.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)C(C)(C)C)CCCN4CCC(OC(c2ccccc2)c3ccccc3)CC4
(2)InChI: InChI=1/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
(3)InChIKey: MJJALKDDGIKVBE-UHFFFAOYAY

The toxicity data is as follows: