Lumacaftor

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Formula C24H18F2N2O5
IUPAC Name carbon dioxide; 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-n-(5-methyl-6-phenyl-pyridin-1-ium-5-id-2-yl)cyclopropanecarboxamide
Molecular Mass 452.407 g·mol−1
Heat of Formation -451.4 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 494.8 Å 3
Surface Area 442.0 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid
  • 3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonylamino]-3-methyl-pyridin-2-yl]benzoic acid
  • 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-oxomethyl]amino]-3-methyl-2-pyridyl]benzoic acid
InChIKey UFSKUSARDNFIRC-UHFFFAOYSA-N
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