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Product Overview

Product Code

TRC-M568020

CAS Number

1152185-58-4

EP Description

Montelukast EP Impurity C

USP Description

Montelukast USP Related Compound A

Product Format

Neat

Molecular Formula

C35 H36 Cl N O4 S

Molecular Weight

602.18

API Family

Montelukast, Montelukast Sodium

Product Categories

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

Product Type

Impurity, Metabolite

Alternate CAS Number

909849-96-3

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Montelukast Sulfoxide

CAS Number

1152185-58-4

Molecular Formula

C35 H36 Cl N O4 S

Molecular Weight

602.18

Accurate Mass

601.2054

SMILES

CC(C)(O)c1ccccc1CC[C@H](c2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)S(=O)CC5(CC(=O)O)CC5

InChI

InChI=1S/C35H36ClNO4S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(42(41)23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-,42?/m1/s1

IUPAC

2-[1-[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]sulfinylmethyl]cyclopropyl]acetic acid

Alternate CAS Number

909849-96-3

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Impurity

Product Format

Neat

API Family

Montelukast; Montelukast Sodium

Purity

>95% (HPLC)

Product Description

Montelukast Sulfoxide (Montelukast EP Impurity C; Montelukast USP Related Compound A; Montelukast Sulfoxid) is a metabolite of Montelukast.

References: Madan, A., et al.: Biochem. Pharmacol., 46, 2291 (1993), Blake, B.L., et al.: Xenobiotica, 25, 377 (1995), LaBelle, M., et al.: Bioorg. Med. Chem. Lett., 5, 283 (1995), Chiba, M., et al.: Drug Metab. Dispos., 24, 307 (1996),

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Montelukast Sulfoxide (Mixture of Diastereomers)

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