2-Bromo-N-[(5α,6Beta)-17-(Cyclopropylmethyl)-3,14-Dihydroxy-4,5-Epoxymorphinan-6-Yl]Acetamide

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Properties Simple | Detailed

Formula C22H27BrN2O4
IUPAC Name n-[(3r,4r,4as,7r,7ar,12bs)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]-2-bromo-acetamide
Molecular Mass 463.365 g·mol−1
Heat of Formation -492.7 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 482.86 Å 3
Surface Area 389.11 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 6-bromoacetamido-6-desoxynaltrexone
CAS Number(s)
  • 91409-49-3
InChIKey LLJPZWYDUXHCIX-HAOCKTTRSA-N
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Elements H C O Br N