Nalmefene

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Properties Simple | Detailed

Formula C21H25NO3
IUPAC Name (3r,4r,4as,7as,12bs)-3-(cyclopropylmethyl)-7-methylene-2,4,5,6,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Molecular Mass 339.428 g·mol−1
Heat of Formation -277.9 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 405.74 Å 3
Surface Area 329.12 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (5alpha)-17-(cyclopropylmethyl)-4,5-epoxy-6-methylenemorphinan-3,14-diol
  • (5alpha)-17-(cyclopropylmethyl)-4,5-epoxy-6-methylenemorphinon-3,14-diol
  • (5alpha)-17-(cyclopropylmethyl)-6-methylidene-4,5-epoxymorphinan-3,14-diol
  • 17-(cyclopropylmethyl)-4,5alpha-epoxy-6-methylenemorphinan-3,14-diol
  • 6-desoxy-6-methylenenaltrexone
  • 9a-(cyclopropylmethyl)-4,5alpha-epoxy-6-methylen-3,14-morphinandiol
  • alcofene
  • arthene
  • cervene
  • cessal
  • d05111
  • incystene
  • jf 1
  • jf-1
  • morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, (5alpha)-
  • nalmefene (usan)
  • nalmetrene
  • nih-10365
  • orf 11676
  • orf-11676
  • pdsp2_001543
  • soberal
CAS Number(s)
  • 55096-26-9
InChIKey WJBLNOPPDWQMCH-MBPVOVBZSA-N
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