Nalfurafine

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Properties Simple | Detailed

Formula C25H19N2O5
IUPAC Name (e)-n-[(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]-3-(furan-3-yl)-n-methylprop-2-enamide
Molecular Mass 427.429 g·mol−1
Heat of Formation -485.0 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 566.5 Å 3
Surface Area 454.1 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-n-(17-(cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6beta-yl)-3-(furan-3-yl)-n-methylprop-2-enamide
  • trk 820
CAS Number(s)
  • 152657-84-6
InChIKey XGZZHZMWIXFATA-UEZBDDGYSA-N
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