(5α)-17-(Cyclopropylmethyl)-14-Hydroxy-6-Oxo-4,5-Epoxymorphinan-3-Yl Salicylate

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Properties Simple | Detailed

Formula C27H27NO6
IUPAC Name [(3r,4r,4as,7ar,12bs)-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl] 6-oxocyclohexa-2,4-diene-1-carboxylate
Molecular Mass 461.506 g·mol−1
Heat of Formation -727.9 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 522.23 Å 3
Surface Area 425.05 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
Synonyms
  • (5alpha)-17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-((2-hydroxybenzoyl)oxy)morphinan-6-one
  • morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-((2-hydroxybenzoyl)oxy)-, (5alpha)-
  • naltrexone-3-salicylate
CAS Number(s)
  • 110189-11-2
InChIKey WJVZGPXACXPQIV-JXHGYLODSA-N
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