(5α,6Beta)-17-(Cyclopropylmethyl)-6-Fluoro-14-Hydroxy-4,5-Epoxymorphinan-3-Yl Acetate

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Properties Simple | Detailed

Formula C22H26FNO4
IUPAC Name [(3r,4r,4as,7r,7ar,12bs)-3-(cyclopropylmethyl)-7-fluoro-4a-hydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl] acetate
Molecular Mass 387.445 g·mol−1
Heat of Formation -710.0 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 445.94 Å 3
Surface Area 355.1 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 3-acetyl-6-deoxy-6-fluoronaltrexone
  • 3-acetylcyclofoxy
  • morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-(fluoro-18f)-, 3-acetate, (5alpha,6beta)-
CAS Number(s)
  • 94696-53-4
InChIKey ZCCDUPABBHUDLO-VSHLJNTCSA-N
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