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

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Properties Simple | Detailed

Formula C29H34N2O4
IUPAC Name (4r,4as,7e,7ar,12bs)-3-(cyclopropylmethyl)-7-(3-phenylpropoxyimino)-2,4,5,6,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Molecular Mass 474.591 g·mol−1
Heat of Formation -282.1 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 572.54 Å 3
Surface Area 475.49 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 3.11 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(3-phenylpropyl)oximino naltrexone
  • morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, o-(3-phenylpropyl)oxime, (5alpha)-
  • npc 836
  • npc-836
CAS Number(s)
  • 127227-11-6
InChIKey WTBLSYMDUIKZHR-WSDVTMMXSA-N
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