6β-Naltrexol

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Properties Simple | Detailed

Formula C20H25NO4
IUPAC Name (3r,4r,4as,7r,7ar,12bs)-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
Molecular Mass 343.417 g·mol−1
Heat of Formation -531.4 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 402.15 Å 3
Surface Area 323.18 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 3.04 ± eV
Point Group Symmetry C1
Synonyms
  • 17-(cyclopropylmethyl)-4,5-epoxymorphinan-3,6beta,14-triol
  • 6alpha-hydroxynaltrexone
  • 6alpha-naltrexol
  • 6beta-hydroxynaltrexone
  • beta-naltrexol
  • morphinan-3,6,14-triol, 17-(cyclopropylmethyl)-4,5-epoxy-, (5alpha,6beta)-
  • n-cyclopropylmethyl-7,8-dihydro-14-hydroxynorisomorphine
CAS Number(s)
  • 49625-89-0
InChIKey JLVNEHKORQFVQJ-PYIJOLGTSA-N
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