Chem
J-GLOBAL ID：201607000606534693   Nikkaji number：J3.479.851F

Gemilukast

ゲミルカスト
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C34H33F2NO5
Molecular formula furigana： C34-H33-F2-N-O5
Molecular weight： 573.637
InChI： InChI=1S/C34H33F2NO5/c1-22-25(7-5-8-29(22)35)6-3-4-21-42-27-14-10-24(11-15-27)9-12-26-13-17-30(36)33-28(16-18-31(38)39)23(2)37(34(26)33)20-19-32(40)41/h5,7-8,10-11,13-15,17H,3-4,6,16,18-21H2,1-2H3,(H,38,39)(H,40,41)
InChI key： PENDZLTXRAAHOF-UHFFFAOYSA-N
SMILES： Cc1c(CCC(=O)O)c2c(F)ccc(C#Cc3ccc(OCCCCc4cccc(F)c4C)cc3)c2n1CCC(=O)O
Systematic name  (3)：
  • 4-フルオロ-2-メチル-7-[[4-[4-(3-フルオロ-2-メチルフェニル)ブトキシ]フェニル]エチニル]-1H-インドール-1,3-ジプロパン酸
  • 3-[1-(2-カルボキシエチル)-4-フルオロ-7-(2-{4-[4-(3-フルオロ-2-メチルフェニル)ブトキシ]フェニル}エチニル)-2-メチル-1H-インドール-3-イル]プロパン酸
  • 3-[1-(2-carboxyethyl)-4-fluoro-7-(2-{4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl}ethynyl)-2-methyl-1H-indol-3-yl]propanoic acid
Other name (3)：
  • 4-Fluoro-2-methyl-7-[[4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl]ethynyl]-1H-indole-1,3-dipropanoic acid
  • ゲミルカスト
  • Gemilukast
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