(6Ar)-9-(4-{[(1S)-6,7-Dimethoxy-2-Methyl-1,2,3,4-Tetrahydro-1-Isoquinolinyl]Methyl}Phenoxy)-2-Methoxy-6-Methyl-5,6,6A,7-Tetrahydro-4H-Dibenzo[De,G]Quinoline-1,10-Diol

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Properties Simple | Detailed

Formula C30H17N2O6
IUPAC Name (6ar)-9-[4-[[(1s)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl]phenoxy]-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-1,10-diol
Molecular Mass 501.466 g·mol−1
Heat of Formation -624.2 ± 16.7 kJ·mol−1
Dipole Moment 2.64 ± 1.08 D
Volume 723.05 Å 3
Surface Area 547.11 Å 2
HOMO Energy -7.98 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-9-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (r-(r*,s*))-
  • pakistanine
CAS Number(s)
  • 36506-69-1
InChIKey PJBCPYBIOOFQBE-URLMMPGGSA-N
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