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Montelukast sodium hydrate

SIGMA/SML0101 - ≥98% (HPLC)

Synonym: 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

Empirical Formula (Hill Notation): C35H35ClNO3S·Na · xH2O
Molecular Weight: 608.17 (anhydrous basis)
MDL Number: MFCD20527317
Linear Formula: C35H35ClNO3S·Na · xH2O
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-SML0101-10MG 10 mg
 $112.00
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45-SML0101-50MG 50 mg
 $448.00
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assay ≥98% (HPLC)
color white to tan
form powder
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
optical activity [α]/D +90 to +106° in methanol (c=1)
originator Merck & Co., Inc., Kenilworth, NJ, U.S.
Quality Level 100 
SMILES string O.[Na+].CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC2)CC([O-])=O)c3cccc(C=Cc4ccc5ccc(Cl)cc5n4)c3
solubility DMSO: ≥8 mg/mL at 60 °C
storage condition desiccated
storage temp. 2-8°C
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.
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 .
Features and Benefits: 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 .
Features and Benefits: 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 .
Packaging: 10, 50 mg in glass bottle
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity ≥98% (HPLC)
Storage Temp. 2-8°C
UNSPSC 12352200

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