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SML0101

Montelukast sodium hydrate

Name: Montelukast sodium hydrate
Brand: SIGMA

≥98% (HPLC), CysLT1 receptor antagonist, powder

Synonym(s):

1-[[[(1R)-1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic acid sodium salt hydrate

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About This Item

Empirical Formula (Hill Notation):

C₃₅H₃₅ClNO₃S·Na · xH₂O

Molecular Weight:

608.17 (anhydrous basis)

UNSPSC Code:

12352200

PubChem Substance ID:

329825159

NACRES:

NA.77

MDL number:

MFCD20527317

Assay:

≥98% (HPLC)

Form:

powder

Storage condition:

desiccated

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Properties

Product Name

Montelukast sodium hydrate, ≥98% (HPLC)

Quality Segment

100

assay

≥98% (HPLC)

form

powder

optical activity

[α]/D +90 to +106° in methanol (c=1)

storage condition

desiccated

color

white to tan

solubility

DMSO: ≥8 mg/mL at 60 °C

originator

Merck & Co., Inc., Kenilworth, NJ, U.S.

storage temp.

2-8°C

SMILES string

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

InChI

1S/C35H36ClNO3S.Na.H2O/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);;1H2/q;+1;/p-1/b15-10+;;/t32-;;/m1../s1

InChI key

QAXHQHBRRJHZHL-ZPQUALOVSA-M

Description

Application

Montelukast sodium hydrate has been used as a positive control drug to study the protective effects of Gumiganghwal-tang aqueous extract (GGTA) against airway inflammation and pulmonary fibrosis.

Biochem/physiol Actions

Montelukast sodium hydrate is a leukotriene receptor antagonist (LTRA) used for the maintenance treatment of asthma and to relieve symptoms of seasonal allergies. It is a subtype specific CysLT1 receptor antagonist.

Montelukast sodium hydrate is subtype specific CysLT1 receptor antagonist; Antiasthmatic; antiallergic

Features and Benefits

This compound is a featured product for ADME Tox research. Click here to discover more featured ADME Tox products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.

This compound is featured on the Leukotriene Receptors page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.

This compound was developed by Merck & Co., Inc., Kenilworth, NJ, U.S.. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c