Abediterol

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Properties Simple | Detailed

Formula C25H30F2N2O4+
IUPAC Name 5-[(1r)-2-[6-(2,2-difluoro-2-phenyl-ethoxy)hexylamino]-1-hydroxy-ethyl]-8-hydroxy-3h-quinolin-1-ium-3-id-2-one
Molecular Mass 460.514 g·mol−1
Heat of Formation -555.6 ± 16.7 kJ·mol−1
Dipole Moment 7.36 ± 1.08 D
Volume 551.52 Å 3
Surface Area 487.75 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(1r)-2-[6-(2,2-difluoro-2-phenyl-ethoxy)hexylamino]-1-hydroxy-ethyl]-8-hydroxy-1h-quinolin-2-one
  • 5-[(1r)-2-[6-(2,2-difluoro-2-phenyl-ethoxy)hexylamino]-1-hydroxy-ethyl]-8-hydroxy-carbostyril
  • 5-[(1r)-2-[6-(2,2-difluoro-2-phenylethoxy)hexylamino]-1-hydroxyethyl]-8-hydroxy-1h-quinolin-2-one
InChIKey SFYAXIFVXBKRPK-QFIPXVFZSA-N
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