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Substance Name: Montelukast sulfoxide
RN: 1152185-58-4
UNII: PND36Y6B5I
InChIKey: QFTNWCBEAVHLQA-XNHCCDLUSA-N

Molecular Formula

  • C35-H36-Cl-N-O4-S

Molecular Weight

  • 602.1914
 
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Names and Synonyms

Name of Substance

  • Montelukast sulfoxide

Synonyms

  • (1-(((1-(3-((E)-2-(7-Chloroquinolin-2-yl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)sulfinyl)methyl)cyclopropyl)acetic acid
  • Cyclopropaneacetic acid, 1-((((1R)-1-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)sulfinyl)methyl)-
  • Montelukast sodium specified impurity C [EP]
  • Montelukast sodium, sulfoxide impurity- [USP]
  • Montelukast sulfoxide
  • UNII-PND36Y6B5I

Registry Numbers

CAS Registry Number

  • 1152185-58-4

FDA UNII

  • PND36Y6B5I

System Generated Number

  • 1152185584

Structure Descriptors

InChI

1S/C35H36ClNO4S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(42(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-,42?/m1/s1

InChIKey

QFTNWCBEAVHLQA-XNHCCDLUSA-N

Smiles

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