Dehydroemetine

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Properties Simple | Detailed

Formula C29H38N2O4
IUPAC Name (5r,11bs)-3-ethyl-2-[[(1r)-1,2,3,4,6,7-hexahydroisoquinoline-6,7-diid-1-yl]methyl]-4,6,7,9,10,11b-hexahydro-1h-benzo[a]quinolizine-9,10-diide; methanone
Molecular Mass 478.623 g·mol−1
Heat of Formation -441.0 ± 16.7 kJ·mol−1
Dipole Moment 1.81 ± 1.08 D
Volume 593.19 Å 3
Surface Area 493.66 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy 3.24 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-2,3-dehydroemetine
  • (11bs)-2-[[(1r)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-4,6,7,11b-tetrahydro-1h-pyrido[2,1-a]isoquinoline
  • 2,3-dehydroemetine
  • 2,3-didehydro-6',7',10,11-tetramethoxyemetan
  • 2,3-didehydroemetine
  • 2-dehydroemetine
  • 3-ethyl-9,10-dimethoxy-1,6,7,11b-tetrahydro-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl)-4h-benzo(a)quinolizine
  • bt 436
  • d00828
  • dehidroemetina
  • dehydroemetine (inn)
  • dehydroemetine [ban:dcf:inn]
  • dehydroemetinum
  • dihydroemetine hydrochloride
  • emetan, 2,3-didehydro-6',7',10,11-tetramethoxy-
  • emetan, 2,3-didehydro-6',7',10,11-tetramethoxy- (9ci)
  • emetine, 2,3-dehydro-, (-)-
  • emetine, 2,3-didehydro-
  • mebadin
  • ro 1-9334
  • ro 1-9334/19
  • ro 1-9334/20
CAS Number(s)
  • 4914-30-1
InChIKey XXLZPUYGHQWHRN-RPBOFIJWSA-N
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