4-{[(5α,6α)-3-Methoxy-17-Methyl-7,8-Didehydro-4,5-Epoxymorphinan-6-Yl]Oxy}-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C22H25NO6
IUPAC Name 4-[[(3s,4r,4ar,7s,7ar,12bs)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]oxy]-4-oxo-butanoic acid
Molecular Mass 399.437 g·mol−1
Heat of Formation -867.4 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 458.05 Å 3
Surface Area 383.33 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • 6-succinylcodeine
  • morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, butanedioate (1:1) (ester), (5alpha,6alpha)-
CAS Number(s)
  • 72878-47-8
InChIKey YTFGQBAWQOQQBO-NEKAMENDSA-N
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