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

Molecule SVG Image

Properties Simple | Detailed

Formula C22H25BrN2O4
IUPAC Name n-[(4r,4as,7ar,12br)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-2-bromo-acetamide
Molecular Mass 461.349 g·mol−1
Heat of Formation -456.0 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 479.56 Å 3
Surface Area 369.78 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 14-(bromoacetamido)-7,8-dihydro-n-(cyclopropylmethy)normorphinone
  • acetamide, 2-bromo-n-((5alpha)-17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-6-oxomorphinan-14-yl)-
  • n-cpm-h2bamo
CAS Number(s)
  • 151061-15-3
InChIKey DXCGQSMGPIFTCQ-YPVJZLTNSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N