Chem
J-GLOBAL ID：201407023597588119   Nikkaji number：J3.299.847J

VX-809

ルマカフトル
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： C24H18F2N2O5
Molecular formula furigana： C24-H18-F2-N2-O5
Molecular weight： 452.414
InChI： InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)
InChI key： UFSKUSARDNFIRC-UHFFFAOYSA-N
SMILES： Cc1ccc(NC(=O)C2(CC2)c2ccc3OC(F)(F)Oc3c2)nc1c1cccc(c1)C(=O)O
Systematic name  (3)：
  • 3-[6-[[1-(2,2-ジフルオロ-1,3-ベンゾジオキソール-5-イル)シクロプロピル]カルボニルアミノ]-3-メチル-2-ピリジル]安息香酸
  • 3-{6-[1-(2,2-ジフルオロ-2H-1,3-ベンゾジオキソール-5-イル)シクロプロパネアミド]-3-メチルピリジン-2-イル}安息香酸
  • 3-{6-[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropaneamido]-3-methylpyridin-2-yl}benzoic acid
Other name (5)：
  • 3-[6-[[1-(2,2-Difluoro-1,3-benzodioxole-5-yl)cyclopropyl]carbonylamino]-3-methyl-2-pyridyl]benzoic acid
  • VX-809
  • VRT-826809
  • ルマカフトル
  • Lumacaftor
CAS registry number： 936727-05-8
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