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Substance Name: Montelukast [INN:BAN]
RN: 158966-92-8
UNII: MHM278SD3E
InChIKey: UCHDWCPVSPXUMX-TZIWLTJVSA-N

Note

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

Molecular Formula

  • C35-H36-Cl-N-O3-S

Molecular Weight

  • 586.1924
 

Classification Codes

  • Anti-Asthmatic Agents
  • Cytochrome P-450 CYP1A2 Inducers
  • Hormone Antagonists
  • Hormones, Hormone Substitutes, and Hormone Antagonists
  • Leukotriene Antagonists
  • Metabolic Side Effects of Drugs and Substances
  • Respiratory System Agents

Names and Synonyms

Name of Substance

  • Montelukast
  • Montelukast [INN:BAN]

Synonyms

  • (R-(E))-1-(((1-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid
  • 1-((((1R)-1-(3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid
  • Aerokast
  • HSDB 7582
  • Montelukast
  • UNII-MHM278SD3E

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 158966-92-8

FDA UNII

  • MHM278SD3E

Related Registry Number

  • 151767-02-1 (sodium)

System Generated Number

  • 0158966928

Structure Descriptors

InChI

1S/C35H36ClNO3S/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)/b15-10+/t32-/m1/s1

InChIKey

UCHDWCPVSPXUMX-TZIWLTJVSA-N

Smiles

CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O