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Product Overview

Product Code

TRC-R701660

CAS Number

1704730-21-1

Product Format

Neat

Molecular Formula

C26 H26 Cl N3 O

Molecular Weight

431.957

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

Rupatadine N-oxide

CAS Number

1704730-21-1

Molecular Formula

C26 H26 Cl N3 O

Molecular Weight

431.957

Accurate Mass

431.176

SMILES

Cc1cc(CN2CCC(=C3c4ccc(Cl)cc4CCc5cccnc35)CC2)cn(=O)c1

InChI

InChI=1S/C26H26ClN3O/c1-18-13-19(17-30(31)15-18)16-29-11-8-20(9-12-29)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-28-26(21)25/h2-3,6-7,10,13-15,17H,4-5,8-9,11-12,16H2,1H3

IUPAC

3-[[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene)piperidin-1-yl]methyl]-5-methylpyridine 1-oxide

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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