N'-[(5α,6E)-17-Allyl-3,14-Dihydroxy-4,5-Epoxymorphinan-6-Ylidene]Benzohydrazide

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Properties Simple | Detailed

Formula C26H27N3O4
IUPAC Name n-[(e)-[(3r,4r,4as,7ar,12bs)-3-allyl-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ylidene]amino]benzamide
Molecular Mass 445.510 g·mol−1
Heat of Formation 176.0 ± 16.7 kJ·mol−1
Dipole Moment 6.27 ± 1.08 D
Volume 515.45 Å 3
Surface Area 420.15 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • [(5alpha)-4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)morphinan-6-ylidene]hydrazide benzoic acid
  • naloxone benzoylhydrazone
InChIKey AKXCFAYOTIEFOH-XTNAHFASSA-N
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