(5α,6Beta)-6-Azido-3-Methoxy-17-Methyl-4,5-Epoxymorphinan

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Properties Simple | Detailed

Formula C18H22N4O2
IUPAC Name (4r,4ar,7r,7ar,12bs)-7-azido-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline
Molecular Mass 326.393 g·mol−1
Heat of Formation 100.3 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 383.72 Å 3
Surface Area 317.08 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 3.10 ± eV
Point Group Symmetry C1
Synonyms
  • 6-deoxy-6-azidodihydroisocodeine
  • azidocodeine
  • morphinan, 6-azido-4,5-epoxy-3-methoxy-17-methyl-, (5-alpha,6-beta)-
  • morphinan, 6-beta-azido-4,5-alpha-epoxy-3-methoxy-17-methyl-
CAS Number(s)
  • 22958-08-3
InChIKey HHODTHJTFYCYHK-KEMUOJQUSA-N
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