(5α,6E)-17-(Cyclopropylmethyl)-6-[(2-Phenylethoxy)Imino]-4,5-Epoxymorphinan-3,14-Diol

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Properties Simple | Detailed

Formula C27H16N2O4
IUPAC Name (4r,4as,7e,7ar,12bs)-3-(cyclopropylmethyl)-7-(2-phenylethoxyimino)-2,4,5,6,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Molecular Mass 432.427 g·mol−1
Heat of Formation -259.9 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 550.92 Å 3
Surface Area 455.43 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(2-phenylethyl)oximino naltrexone
  • morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, o-(2-phenylethyl)oxime, (5alpha)-
  • npc 831
  • npc-831
CAS Number(s)
  • 127227-10-5
InChIKey IAXZIXAQAXBZQX-WREUMIDGSA-N
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