Maropitant

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Properties Simple | Detailed

Formula C32H36N2O
IUPAC Name (2s,3s)-2-benzhydryl-n-[[2-methoxy-5-(2-methylenecyclopropyl)phenyl]methyl]quinuclidin-3-amine
Molecular Mass 464.641 g·mol−1
Heat of Formation 61.7 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 614.47 Å 3
Surface Area 466.47 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-n-[(5-tert-butyl-2-methoxy-phenyl)methyl]-2-[di(phenyl)methyl]quinuclidin-3-amine
  • (2s,3s)-n-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-[di(phenyl)methyl]-3-quinuclidinamine
  • (5-tert-butyl-2-methoxy-benzyl)-[(2s,3s)-2-[di(phenyl)methyl]quinuclidin-3-yl]amine
  • (7s,8s)-n-[(5-tert-butyl-2-methoxy-phenyl)methyl]-7-[di(phenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine
  • (7s,8s)-n-[(5-tert-butyl-2-methoxyphenyl)methyl]-7-[di(phenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine
InChIKey OMPCVMLFFSQFIX-CONSDPRKSA-N
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