(1R)-1-[3-(4-{[(1R)-6,7-Dimethoxy-2-Methyl-1,2,3,4-Tetrahydro-1-Isoquinolinyl]Methyl}Phenoxy)-4-Hydroxybenzyl]-6-Methoxy-2-Methyl-1,2,3,4-Tetrahydro-7-Isoquinolinol

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Properties Simple | Detailed

Formula C37H42N2O6
IUPAC Name (1r,2r)-1-[[3-[4-[[(1r,2r)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl]phenoxy]-4-hydroxy-phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-ol
Molecular Mass 610.739 g·mol−1
Heat of Formation -622.7 ± 16.7 kJ·mol−1
Dipole Moment 5.78 ± 1.08 D
Volume 768.3 Å 3
Surface Area 557.08 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-1-[3-[4-[[(1r)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl]phenoxy]-4-hydroxy-benzyl]-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-ol
  • (1r)-1-[[3-[4-[[(1r)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl]phenoxy]-4-hydroxy-phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-ol
  • (1r)-1-[[3-[4-[[(1r)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl]phenoxy]-4-hydroxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-ol
  • (r-(r*,r*))-1,2,3,4-tetrahydro-1-((4-hydroxy-3-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-6-methoxy-2-methyl-7-isoquinolinol
  • 7-isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxy-3-(4-((1,2,3,4-tetrahydro-6,7-
  • 7-isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxy-3-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-6-methoxy-2-methyl-, (r-(r*,r*))-
  • d 610
  • daurisoline
  • o(sup 7)-demethyldauricine
CAS Number(s)
  • 70553-76-3
InChIKey BURJAQFYNVMZDV-FIRIVFDPSA-N
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