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Product Overview

Product Code

TRC-C380010

CAS Number

149968-11-6

Product Format

Neat

Molecular Formula

C28 H22 Cl N O3

Molecular Weight

455.93

API Family

Montelukast

Product Categories

TRC, Respiratory drugs, Respiratory drugs, Respiratory drugs, Additional Covid-19 Research materials, Impurity Reference Materials

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

2-[3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoic Acid Methyl Ester

CAS Number

149968-11-6

Molecular Formula

C28 H22 Cl N O3

Molecular Weight

455.93

Accurate Mass

455.1288

SMILES

COC(=O)c1ccccc1CCC(=O)c2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2

InChI

InChI=1S/C28H22ClNO3/c1-33-28(32)25-8-3-2-6-20(25)12-16-27(31)22-7-4-5-19(17-22)9-14-24-15-11-21-10-13-23(29)18-26(21)30-24/h2-11,13-15,17-18H,12,16H2,1H3/b14-9+

IUPAC

methyl 2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-oxopropyl]benzoate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Montelukast

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