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CHEBI:749627 - iralukast

Default Structure
ChEBI IDCHEBI:749627
ChEBI Nameiralukast
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC38H37F3O8S
Net Charge0
Average Mass710.767
Monoisotopic Mass710.21612
SMILESCCCc1c(OCCCC/C=C\C=C\[C@H](Sc2ccc3c(=O)cc(C(=O)O)oc3c2)[C@H](O)c2cccc(C(F)(F)F)c2)ccc(C(C)=O)c1O
InChIInChI=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
InChIKeyIXJCHVMUTFCRBH-SDUHDBOFSA-N
ChEBI Ontology
Outgoing Relation(s)
iralukast (CHEBI:749627) is a aromatic ketone (CHEBI:76224)
INN  Source
iralukastWHO MedNet