Clemastine fumarate

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For Research Use Only.

Category

Impurities

Cat.No.

NP3342

CAS

14976-57-9

Product Name

Clemastine fumarate

Structure

Product Details

Description

Clemastine Fumarate (Clemastine) is a selective histamine H1 receptor antagonist with IC50 of 3 nM.

Synonyms

Agasten; Tavist; Mecloprodine; (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine fumarate

IUPAC Name

(E)-but-2-enedioic acid;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine

Molecular Weight

459.96

Molecular Formula

C21H26ClNO.C4H4O4

Canonical SMILES

CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C.C(=CC(=O)O)C(=O)O

InChI

InChI=1S/C21H26ClNO.C4H4O4/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;5-3(6)1-2-4(7)8/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,21-;/m1./s1

InChIKey

PMGQWSIVQFOFOQ-YKVZVUFRSA-N

Boiling Point

154 °C at 0.02 mm Hg

Melting Point

158-162°C

Purity

>98%

Solubility

Very slightly soluble in water and sparingly soluble in alcohol.

Appearance

White or off-white crystalline power

Application

Anti-Allergic Agents

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