Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Montelukast sodium [USAN]
RN: 151767-02-1
UNII: U1O3J18SFL
InChIKey: LBFBRXGCXUHRJY-HKHDRNBDSA-M

Note

  • A leukotriene D4 receptor antagonist; sodium salt is the active compound.

Classification Code

  • Anti-Asthmatic (Leukotriene Antagonist)

Molecular Formula

  • C35-H36-Cl-N-O3-S.Na

Molecular Weight

  • 608.1745
 

Names and Synonyms

Name of Substance

  • Montelukast sodium [USAN]

Synonyms

  • Cyclopropaneacetic acid, 1-(((1-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)-, sodium salt, (R-(E))-
  • Kokast
  • MK 0476
  • MK 476
  • MK-476
  • Montair
  • Montelukast sodium
  • Singulair
  • Sodium 1-((((R)-m-((E)-2-(7-chloro-2-quinolyl)vinyl)-alpha-(o-(1-hydroxy-1-methylethyl)phenethyl)benzyl)thio)methyl)cyclopropaneacetate
  • UNII-U1O3J18SFL

Systematic Name

  • Cyclopropaneacetic acid, 1-((((1R)-1-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 151767-02-1

FDA UNII

  • U1O3J18SFL

Related Registry Number

  • 158966-92-8 (Parent)

System Generated Number

  • 0151767021

Molecular Formulas

Molecular Formula

  • C35-H36-Cl-N-O3-S.Na

Molecular Formula Fragments

  • C35-H36-Cl-N-O3-S
  • COMPONENT
  • Na

Structure Descriptors

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-;/m1./s1

InChIKey

LBFBRXGCXUHRJY-HKHDRNBDSA-M

Smiles

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