Eliglustat

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Properties Simple | Detailed

Formula C23H36N2O4
IUPAC Name n-[(1r,2r)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(pyrrolidin-1-ylmethyl)ethyl]octanamide
Molecular Mass 404.543 g·mol−1
Heat of Formation -787.5 ± 16.7 kJ·mol−1
Dipole Moment 0.51 ± 1.08 D
Volume 524.78 Å 3
Surface Area 413.49 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1r,2r)-1-(2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-yl-propan-2-yl]octanamide
  • n-[(1r,2r)-1-(2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]octanamide
  • n-[(1r,2r)-2-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl]octanamide
  • n-[(1r,2r)-2-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxy-1-(pyrrolidin-1-ylmethyl)ethyl]caprylamide
  • n-[(1r,2r)-2-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxy-1-(pyrrolidin-1-ylmethyl)ethyl]octanamide
InChIKey FJZZPCZKBUKGGU-AUSIDOKSSA-N
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