Nicocodeine

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Properties Simple | Detailed

Formula C24H24N2O4
IUPAC Name [(3s,4r,4ar,7s,7ar,12bs)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] pyridine-3-carboxylate
Molecular Mass 404.458 g·mol−1
Heat of Formation -298.6 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 463.59 Å 3
Surface Area 368.15 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol, 3-pyridinecarboxylate (ester)
  • 4,5-epoxy-3-methoxy-9a-methyl-7-morphinen-6alpha-yl nicotinat
  • 4,5alpha-epoxy-3-methoxy-9alpha-methyl-7-morphinen-6alpha-yl nicotinat
  • 6-nicotinoylcodeine
  • codeine, nicotinate (ester)
  • dea no. 9309
  • lyopect
  • morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, nicotinate (ester)
  • nicocodine [ban:dcf:inn]
  • nicotinic acid, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methylmorphinan-6-alpha-yl ester
  • nicotinic acid, ester with codeine
  • rc 146
CAS Number(s)
  • 3688-66-2
  • 58263-01-7
InChIKey RYBGRHAWFUVMST-MJFIPZRTSA-N
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