Emetine

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Properties Simple | Detailed

Formula C29H34N2O4
IUPAC Name (2s,3r,11bs)-2-[[(1r)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1h-pyrido[2,1-a]isoquinoline
Molecular Mass 474.591 g·mol−1
Heat of Formation -520.2 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 598.33 Å 3
Surface Area 505.49 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy 3.25 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-benzo(a)quinolizine, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl)-
  • 316-42-7 (dihydrochloride)
  • 483-18-1 (free base)
  • 6',7',10,11-tetrakis(methyloxy)emetan
  • 6',7',10,11-tetramethoxyemetan
  • bio1_000345
  • bio1_000834
  • bio1_001323
  • bpbio1_000396
  • cbiol_002059
  • cephaline-o-methyl ether
  • emetan, 6',7',10,11-tetramethoxy-
CAS Number(s)
  • 483-18-1
  • 24377-67-1
  • 602-59-5
InChIKey AUVVAXYIELKVAI-CKBKHPSWSA-N
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