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Product Overview

Product Code

TRC-M567995

CAS Number

190078-45-6

EP Description

Montelukast EP Impurity A

Product Format

Neat

Molecular Formula

C35 H35 Cl N O3 S . Na

Molecular Weight

608.17

API Family

Montelukast

Product Categories

Pharmaceutical Reference Standards, TRC, Chiral Molecules , Impurity Reference Materials , Additional Covid-19 Research materials

Product Type

Impurity

Alternate CAS Number

Free acid: 220927-27-5

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

ent-Montelukast sodium salt

CAS Number

190078-45-6

Molecular Formula

C35 H35 Cl N O3 S . Na

Molecular Weight

608.17

Accurate Mass

607.1924

SMILES

[Na+].CC(C)(O)c1ccccc1CC[C@H](SCC2(CC(=O)[O-])CC2)c3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3

InChI

InChI=1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(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);/q;+1/p-1/b15-10+;/t32-;/m0./s1

IUPAC

sodium;2-[1-[[(1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate

Alternate CAS Number

Free acid: 220927-27-5

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Montelukast

Purity

>95% (HPLC)

Product Description

ent-Montelukast Sodium Salt (Montelukast EP Impurity A) is the S-enantiomer of Montelukast. Results indicate that there is no apparent bioinversion of Montelukast to its S-enantiomer in humans.

References: Cheng, H., et al.: Pharm. Res., 11, 824 (1994),

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