(5α,6α)-3-Hydroxy-17-Methyl-7,8-Didehydro-4,5-Epoxymorphinan-6-Yl Nicotinate

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Properties Simple | Detailed

Formula C23H22N2O4
IUPAC Name [(4r,4ar,7s,7ar,12bs)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] pyridine-3-carboxylate
Molecular Mass 390.432 g·mol−1
Heat of Formation -319.1 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 442.38 Å 3
Surface Area 361.66 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 6-mononicotioylmorphine
  • 6-nicotinoylmorphine
  • morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-(5alpha,6alpha)-, 6-(3-pyridinecarboxylate)
  • morphine 6-nicotinate
CAS Number(s)
  • 75533-60-7
InChIKey FROBENCERPQZPJ-VMWRJMRKSA-N
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