1-(3,4-Dihydroxybenzyl)-7-Hydroxy-6(2H)-Isoquinolinone

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Properties Simple | Detailed

Formula C16H28NO4+
IUPAC Name 1-[(3,4-dihydroxycyclohexyl)methyl]-7-hydroxy-3,4,5,8-tetrahydro-2h-isoquinoline-1,3,4,4a,5,7,8,8a-octaid-6-one
Molecular Mass 298.398 g·mol−1
Heat of Formation -419.9 ± 16.7 kJ·mol−1
Dipole Moment 11.12 ± 1.08 D
Volume 318.27 Å 3
Surface Area 288.51 Å 2
HOMO Energy -8.08 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3,4-dihydroxybenzyl)-6,7-isoquinolinediol
  • 1-(3,4-dihydroxybenzyl)-7-hydroxy-2h-isoquinolin-6-one
  • 1-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-2h-isoquinolin-6-one
  • 6,7-isoquinolinediol, 1-[(3,4-dihydroxyphenyl)methyl]-
  • papaveroline
  • papaveroline [ban:inn]
InChIKey HGZKLOLFPCXWBE-UHFFFAOYSA-N
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