(5α,6Beta)-6-Amino-17-(Cyclopropylmethyl)-4,5-Epoxymorphinan-3,14-Diol

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Formula C20H26N2O3
IUPAC Name (3r,4r,4as,7r,7ar,12bs)-7-amino-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Molecular Mass 342.432 g·mol−1
Heat of Formation -311.6 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 405.82 Å 3
Surface Area 328.2 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • beta-naltrexamine
  • morphinan-3,14-diol, 6-amino-17-(cyclopropylmethyl)-4,5-epoxy-, (5alpha,6beta)-
CAS Number(s)
  • 67025-97-2
InChIKey SPPAUICKSNQRNC-GNUVVZJLSA-N
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