Olopatadine hydrochloride

The Olopatadine hydrochloride, with the CAS registry number 140462-76-6, is also known as (Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid hydrochloride. It belongs to the product categories of Pharmaceutical material and intermeidates; APIs; Olopatadine; Amines; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₂₁H₂₃NO₃·HCl and molecular weight is 373.87. What's more, its systematic name is {(11Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,e]oxepin-2-yl}acetic acid hydrochloride (1:1). Its classification code is Anti-allergic. This chemical is a dual acting histamine H1-receptor antagonist and mast cell stabilizer. It is used to treat itching associated with allergic conjunctivitis (eye allergies).

Physical properties of Olopatadine hydrochloride are: (1)ACD/LogP: 3.143; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.64; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 3.71; (8)ACD/KOC (pH 7.4): 3.82; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å²; (13)Flash Point: 270.1 °C; (14)Enthalpy of Vaporization: 83.86 kJ/mol; (15)Boiling Point: 523 °C at 760 mmHg; (16)Vapour Pressure: 9.11E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(O)Cc2ccc1OCc3c(C(\c1c2)=C\CCN(C)C)cccc3
(2)Std. InChI: InChI=1S/C21H23NO3.ClH/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24;/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24);1H/b18-8-;
(3)Std. InChIKey: HVRLZEKDTUEKQH-NOILCQHBSA-N