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Substance Name: Iralukast [INN]
RN: 151581-24-7
UNII: L1E28E0J8F
InChIKey: IXJCHVMUTFCRBH-SDUHDBOFSA-N

Note

  • Has potent peptido-leukotriene antagonist activity.

Molecular Formula

  • C38-H37-F3-O8-S

Molecular Weight

  • 710.7623
 
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Names and Synonyms

Name of Substance

  • Iralukast [INN]

Synonyms

  • 7-(((1S,2E,4Z)-9-(4-Acetyl-3-hydroxy-2-propylphenoxy)-1-((alphaR)-alpha-hydroxy-m-(trifluoromethyl)benzyl)-2,4-nonadienyl)thio-4-oxo-4H-1-benzopyran-2-carboxylic acid
  • Iralukast
  • UNII-L1E28E0J8F

Systematic Name

  • 7-(((1S,2E,4Z)-9-(4-Acetyl-3-hydroxy-2-propylphenoxy)-1-((alphaR)-alpha-hydroxy-m-(trifluoromethyl)benzyl)-2,4-nonadienyl)thio-4-oxo-4H-1-benzopyran-2-carboxylic acid.

Registry Numbers

CAS Registry Number

  • 151581-24-7

FDA UNII

  • L1E28E0J8F

System Generated Number

  • 0151581247

Structure Descriptors

InChI

1S/C38H37F3O8S/c1-3-11-29-31(18-17-27(23(2)42)36(29)45)48-19-9-7-5-4-6-8-14-34(35(44)24-12-10-13-25(20-24)38(39,40)41)50-26-15-16-28-30(43)22-33(37(46)47)49-32(28)21-26/h4,6,8,10,12-18,20-22,34-35,44-45H,3,5,7,9,11,19H2,1-2H3,(H,46,47)/b6-4-,14-8+/t34-,35+/m0/s1

InChIKey

IXJCHVMUTFCRBH-SDUHDBOFSA-N

Smiles

CCCc1c(O)c(ccc1OCCCC\C=C/C=C/[C@H](Sc2ccc3C(=O)C=C(Oc3c2)C(=O)O)[C@H](O)c4cccc(c4)C(F)(F)F)C(=O)C