Nalbuphine

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Formula C21H27NO4
IUPAC Name (3r,4r,4as,7s,7ar,12bs)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
Molecular Mass 357.443 g·mol−1
Heat of Formation -565.4 ± 16.7 kJ·mol−1
Dipole Moment 1.90 ± 1.08 D
Volume 418.11 Å 3
Surface Area 332.1 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (5alpha,6alpha)-17-(cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol
  • bpbio1_000150
CAS Number(s)
  • 20594-83-6
InChIKey NETZHAKZCGBWSS-CEDHKZHLSA-N
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