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Product Overview

Product Code

TRC-D290750

CAS Number

73736-50-2

Product Format

Neat

Molecular Formula

C27 H29 F N4 O . Cl H

Molecular Weight

481.00

API Family

Astemizole

Product Categories

TRC, Antihistamines, Antihistamines, Impurity Reference Materials , Antihistamines

Product Type

Bioactive small molecule, Impurity, Metabolite

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

O-Desmethyl Astemizole

CAS Number

73736-50-2

Molecular Formula

C27 H29 F N4 O . Cl H

Molecular Weight

481.00

Accurate Mass

480.2092

SMILES

Cl.Oc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1

InChI

InChI=1S/C27H29FN4O.ClH/c28-22-9-5-21(6-10-22)19-32-26-4-2-1-3-25(26)30-27(32)29-23-14-17-31(18-15-23)16-13-20-7-11-24(33)12-8-20;/h1-12,23,33H,13-19H2,(H,29,30);1H

IUPAC

4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]phenol;hydrochloride

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Astemizole

Purity

>95% (HPLC)

Product Description

A metabolite of Astemizole.

References: Nagata, K., et al.: J. Biol. Chem., 268, 24720 (1993),

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