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Product Overview

Product Code

TRC-R701658

CAS Number

1354055-68-7

Product Format

Neat

Molecular Formula

C30 H30 Cl N3 O4

Molecular Weight

532.03

API Family

Rupatadine

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

3-[(4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidin-1-yl)methyl]-1-(1,2-dicarboxyethyl)-5-methylpyridin-1-ium Inner Salt

CAS Number

1354055-68-7

Molecular Formula

C30 H30 Cl N3 O4

Molecular Weight

532.03

Accurate Mass

531.1925

SMILES

Cc1cc(CN2CCC(=C3c4ccc(Cl)cc4CCc5cccnc35)CC2)c[n+](c1)C(CC(=O)O)C(=O)[O-]

InChI

InChI=1S/C30H30ClN3O4/c1-19-13-20(18-34(16-19)26(30(37)38)15-27(35)36)17-33-11-8-21(9-12-33)28-25-7-6-24(31)14-23(25)5-4-22-3-2-10-32-29(22)28/h2-3,6-7,10,13-14,16,18,26H,4-5,8-9,11-12,15,17H2,1H3,(H-,35,36,37,38)

IUPAC

3-[(4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidin-1-yl)methyl]-1-(1,2-dicarboxyethyl)-5-methylpyridin-1-ium Inner Salt

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Rupatadine

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rac-Rupatadine Pyridinium Fumarate Adduct Inner

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