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

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Properties Simple | Detailed

Formula C37H42N2O6
IUPAC Name 2-[4-[[(1r,2r)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl]phenoxy]-4-[[(1r)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
Molecular Mass 610.739 g·mol−1
Heat of Formation -625.9 ± 16.7 kJ·mol−1
Dipole Moment 1.65 ± 1.08 D
Volume 756.96 Å 3
Surface Area 529.74 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[[(1r)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl]phenoxy]-4-[[(1r)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
  • n-desmethyldauricine
  • phenol, 4-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)methyl)-2-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (r-(r*,r*))-
CAS Number(s)
  • 146763-55-5
InChIKey BHWMRBGNDAWZAO-FIRIVFDPSA-N
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