2-Bromo-N-[(5α,6α)-3,6-Dihydroxy-17-Methyl-7,8-Didehydro-4,5-Epoxymorphinan-14-Yl]Acetamide

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Properties Simple | Detailed

Formula C19H21BrN2O4
IUPAC Name n-[(3s,4r,4as,7s,7ar,12br)-7,9-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl]-2-bromo-acetamide
Molecular Mass 421.285 g·mol−1
Heat of Formation -485.1 ± 16.7 kJ·mol−1
Dipole Moment 6.42 ± 1.08 D
Volume 421.27 Å 3
Surface Area 329.13 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 14-bbammor
  • 14-bromoacetamidomorphine
  • 14beta-bromoacetamidomorphine
  • 14beta-bromoacetamidomorphine hydrochloride
  • acetamide, 2-bromo-n-((5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17-methylmorphinan-14-yl)-
  • acetamide, 2-bromo-n-((5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17-methylmorphinan-14-yl)-, monohydrochloride
CAS Number(s)
  • 82975-77-7
InChIKey WPEIOODEGJJMDJ-LOJOQKOYSA-N
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Elements H C O Br N