Xorphanol

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Properties Simple | Detailed

Formula C23H31NO
IUPAC Name (1r,9r,10r,11s,17r)-17-(cyclobutylmethyl)-11-methyl-13-methylene-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Molecular Mass 337.498 g·mol−1
Heat of Formation -113.7 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 439.64 Å 3
Surface Area 346.83 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 17-(cyclobutylmethyl)-8beta-methyl-6-methylenmorphinan-3-ol
  • 9a-cyclobutylmethyl-8beta-methyl-6-methylen-3-morphinanol
  • n-(cyclobutylmethyl)-8 beta-methyl-6-methylenemorphinan-3-ol
  • pdsp2_000327
  • tr-5379
  • xorfanol [spanish]
  • xorphanolum [latin]
CAS Number(s)
  • 77287-89-9
InChIKey AZJPPZHRNFQRRE-AZIXLERZSA-N
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