Netupitant

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Formula C30H32F6N4O
IUPAC Name 2-[3,5-bis(trifluoromethyl)phenyl]-n,2-dimethyl-n-[6-(4-methylpiperazin-1-yl)-4-(o-tolyl)-3-pyridyl]propanamide
Molecular Mass 578.592 g·mol−1
Heat of Formation -1254.2 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 656.37 Å 3
Surface Area 514.28 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3,5-bis(trifluoromethyl)phenyl]-n,2-dimethyl-n-[4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridyl]propanamide
  • 2-[3,5-bis(trifluoromethyl)phenyl]-n,2-dimethyl-n-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridyl]propanamide
  • 2-[3,5-bis(trifluoromethyl)phenyl]-n,2-dimethyl-n-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridyl]propionamide
  • 2-[3,5-bis(trifluoromethyl)phenyl]-n,2-dimethyl-n-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide
  • benzeneacetamide, n,alpha,alpha-trimethyl-n-(4-(2-methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinyl)-3,5-bis(trifluoromethyl)-
  • d05152
  • netupitant (usan)
  • ro 67-3189/000
CAS Number(s)
  • 290297-26-6
InChIKey WAXQNWCZJDTGBU-UHFFFAOYSA-N
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