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Product Overview

Product Code

TRC-C380065

CAS Number

1258428-71-5

Product Format

Neat

Molecular Formula

C29 H26 Cl N O2

Molecular Weight

455.98

API Family

Montelukast Sodium

Product Categories

TRC, Dopamine receptors, Pain and Inflammation, Impurity Reference Materials

Product Type

Impurity, Bioactive Small Molecule

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]-1-propanon

CAS Number

1258428-71-5

Molecular Formula

C29 H26 Cl N O2

Molecular Weight

455.98

Accurate Mass

455.1652

SMILES

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

InChI

InChI=1S/C29H26ClNO2/c1-29(2,33)26-9-4-3-7-21(26)13-17-28(32)23-8-5-6-20(18-23)10-15-25-16-12-22-11-14-24(30)19-27(22)31-25/h3-12,14-16,18-19,33H,13,17H2,1-2H3/b15-10+

IUPAC

1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-one

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Montelukast Sodium

Purity

>95% (HPLC)

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1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]-1-propanone

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