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Substance Name: Montelukast methylstyrene
RN: 918972-54-0
UNII: H5EKP57W1I
InChIKey: LLGQICNFACCGPR-LDXVMNHOSA-N

Molecular Formula

  • C35-H34-Cl-N-O2-S

Molecular Weight

  • 568.1776
 
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Names and Synonyms

Name of Substance

  • Montelukast methylstyrene

Synonyms

  • (1-((((1R)-1-(3-((E)-2-(7-Chloroquinolin-2-yl)ethenyl)phenyl)-3-(2-(1-methylethenyl)phenyl)propyl)sulfanyl)methyl)cyclopropyl)acetic acid
  • Cyclopropaneacetic acid, 1-((((1R)-1-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-methylethenyl)phenyl)propyl)thio)methyl)-
  • Montelukast methylstyrene
  • Montelukast sodium specified impurity B [EP]
  • Montelukast sodium, methylstyrene impurity- [USP]
  • UNII-H5EKP57W1I

Registry Numbers

CAS Registry Number

  • 918972-54-0

FDA UNII

  • H5EKP57W1I

System Generated Number

  • 0918972540

Structure Descriptors

InChI

1S/C35H34ClNO2S/c1-24(2)31-9-4-3-7-26(31)13-17-33(40-23-35(18-19-35)22-34(38)39)28-8-5-6-25(20-28)10-15-30-16-12-27-11-14-29(36)21-32(27)37-30/h3-12,14-16,20-21,33H,1,13,17-19,22-23H2,2H3,(H,38,39)/b15-10+/t33-/m1/s1

InChIKey

LLGQICNFACCGPR-LDXVMNHOSA-N

Smiles

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