Catalog Number:
AG01EOMC
Chemical Name:
Gemilukast
CAS Number:
1232861-58-3
Molecular Formula:
C36H37F2NO5
Molecular Weight:
601.6795
MDL Number:
MFCD28963982
IUPAC Name:
4-[1-(3-carboxypropyl)-4-fluoro-7-[2-[4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-3-yl]butanoic acid
InChI:
InChI=1S/C36H37F2NO5/c1-24-27(9-5-11-31(24)37)8-3-4-23-44-29-19-15-26(16-20-29)14-17-28-18-21-32(38)35-30(10-6-12-33(40)41)25(2)39(36(28)35)22-7-13-34(42)43/h5,9,11,15-16,18-21H,3-4,6-8,10,12-13,22-23H2,1-2H3,(H,40,41)(H,42,43)
InChI Key:
SILHYVDKGHXGBL-UHFFFAOYSA-N
SMILES:
OC(=O)CCCn1c2c(C#Cc3ccc(cc3)OCCCCc3cccc(c3C)F)ccc(c2c(c1C)CCCC(=O)O)F
UNII:
42I6GGX6D6
