Methyl (2E)-4-{[(5α,6Beta)-17-(Cyclopropylmethyl)-3,14-Dihydroxy-4,5-Epoxymorphinan-6-Yl]Amino}-4-Oxo-2-Butenoate

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Formula C25H30N2O6
IUPAC Name methyl (e)-4-[[(3r,4r,4as,7r,7ar,12bs)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]amino]-4-oxo-but-2-enoate
Molecular Mass 454.516 g·mol−1
Heat of Formation -796.1 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 530.9 Å 3
Surface Area 435.13 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butenoic acid, 4-(((5alpha,6beta)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)amino)-4-oxo-, methyl ester, (e)-
  • beta funaltrexamine
  • beta-fna
  • beta-funaltrexamine
  • naltrexone fumarate methyl ester
  • pdsp2_000394
  • pdsp2_001549
CAS Number(s)
  • 72782-05-9
InChIKey PQKHESYTSKMWFP-WZJCLRDWSA-N
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