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Product Overview

Product Code

TRC-B317000

CAS Number

190786-44-8

Product Format

Neat

Molecular Formula

C21 H25 Cl N2 O3 . C6 H6 O3 S

Molecular Weight

547.06

Product Categories

TRC, Amino acids, Bioactive small molecules, Histamine receptors, Memory, Learning and Cognition, Schizophrenia, Sleep, Pain and Inflammation, API Reference Standards & Research Materials

Product Type

API

Alternate CAS Number

Free base: 125602-71-3

Documentation

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Product Information

Chemical Data

Analyte Name

(S)-Bepotastine Besylate

CAS Number

190786-44-8

Molecular Formula

C21 H25 Cl N2 O3 . C6 H6 O3 S

Molecular Weight

547.06

Accurate Mass

546.1591

SMILES

OC(=O)CCCN1CCC(CC1)O[C@@H](c2ccc(Cl)cc2)c3ccccn3.OS(=O)(=O)c4ccccc4

InChI

InChI=1S/C21H25ClN2O3.C6H6O3S/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26;7-10(8,9)6-4-2-1-3-5-6/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26);1-5H,(H,7,8,9)/t21-;/m0./s1

IUPAC

benzenesulfonic acid;4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid

Alternate CAS Number

Free base: 125602-71-3

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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