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Product Overview

Product Code

TRC-D293000

CAS Number

1246638-08-3

Product Format

Neat

Molecular Formula

C26 H34 N2 O5 . Cl H

Molecular Weight

491.02

API Family

Ivabradine

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity, Metabolite

Alternate CAS Number

Free base: 215935-23-2

Documentation

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Product Information

Chemical Data

Analyte Name

N-Demethyl Ivabradine Hydrochloride

CAS Number

1246638-08-3

Molecular Formula

C26 H34 N2 O5 . Cl H

Molecular Weight

491.02

Accurate Mass

490.2234

SMILES

Cl.COc1cc2CCN(CCCNC[C@H]3Cc4cc(OC)c(OC)cc34)C(=O)Cc2cc1OC

InChI

InChI=1S/C26H34N2O5.ClH/c1-30-22-11-17-6-9-28(26(29)14-18(17)12-23(22)31-2)8-5-7-27-16-20-10-19-13-24(32-3)25(33-4)15-21(19)20;/h11-13,15,20,27H,5-10,14,16H2,1-4H3;1H/t20-;/m1./s1

IUPAC

3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride

Alternate CAS Number

Free base: 215935-23-2

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Ivabradine

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