(5α)-17-Allyl-14-Hydroxy-6-Oxo-4,5-Epoxymorphinan-3-Yl Hydrogen Sulfate

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Formula C19H21NO7S
IUPAC Name [(3r,4r,4as,7ar,12bs)-3-allyl-4a-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl] hydrogen sulfate
Molecular Mass 407.438 g·mol−1
Heat of Formation -985.1 ± 16.7 kJ·mol−1
Dipole Moment 7.76 ± 1.08 D
Volume 439.45 Å 3
Surface Area 350.8 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • morphinan-6-one, 4,5-epoxy-14-hydroxy-17-(2-propenyl)-3-(sulfooxy)-, (5alpha)-
  • naloxone-3-ethereal sulfate
  • naloxone-3-sulfate
CAS Number(s)
  • 34707-87-4
InChIKey PAJPQFFSQUPZNW-GRGSLBFTSA-N
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