CAS No.15686-51-8,CLEMASTINE FUMARATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	15686-51-8
Name:	CLEMASTINE FUMARATE

Formula:	C₂₁H₂₆ClNO
Molecular Weight:	343.897
Synonyms:	Pyrrolidine,2-[2-[(p-chloro-a-methyl-a-phenylbenzyl)oxy]ethyl]-1-methyl-,(+)- (8CI);Pyrrolidine,2-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methyl-, [R-(R,R)]-;(+)-Clemastine;Clemastine;Meclastine;
EINECS:	239-055-2
Density:	1.097 g/cm³
Boiling Point:	425.2 °C at 760mmHg
Flash Point:	211 °C
PSA:	12.47000
LogP:	5.04230

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Specification

The IUPAC name of Clemastine is (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine. With the CAS registry number 15686-51-8, it is also named as Pyrrolidine, 2-(2-(1-(4-chlorophenyl)-1-phenylethoxy)ethyl)-1-methyl-, (R-(R*,R*))-. The product's category is Active Pharmaceutical Ingredients. It is an antihistamine and anticholinergic.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 10.07; (6)ACD/BCF (pH 7.4): 28.05; (7)ACD/KOC (pH 5.5): 24.07; (8)ACD/KOC (pH 7.4): 67.03; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 100.41 cm³; (14)Molar Volume: 313.3 cm³; (15)Polarizability: 39.8×10^-24 cm³; (16)Surface Tension: 39.7 dyne/cm; (17)Enthalpy of Vaporization: 67.99 kJ/mol; (18)Vapour Pressure: 1.94E-07 mmHg at 25°C; (19)Rotatable Bond Count: 6; (20)Exact Mass: 343.170292; (21)MonoIsotopic Mass: 343.170292; (22)Topological Polar Surface Area: 12.5; (23)Heavy Atom Count: 24; (24)Complexity: 376; (25)Defined Atom StereoCenter Count: 2.

Uses of Clemastine: It is a histamine H1 antagonist used as the hydrogen fumarate in hay fever, rhinitis, allergic skin conditions, and pruritus. It causes drowsiness. And it is a sedating antihistamine, however it exhibits fewer side effects than most of the widely used antihistamines.

People can use the following data to convert to the molecule structure.
1. SMILES:Clc1ccc(cc1)[C@](OCC[C@@H]2N(C)CCC2)(c3ccccc3)C
2. InChI:InChI=1/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1