N-Methyl-1,3-Dihydroxy-2,5,6-Trimethoxyacridine-9-One

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Properties Simple | Detailed

Formula C17H30NO6+
IUPAC Name 6,8-dihydroxy-3,4,7-trimethoxy-10-methyl-2,5-dihydro-1h-acridine-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecaid-9-one
Molecular Mass 344.423 g·mol−1
Heat of Formation -802.9 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 362.7 Å 3
Surface Area 316.2 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dihydroxy-2,5,6-trimethoxy-10-methyl-9-acridinone
  • 1,3-dihydroxy-2,5,6-trimethoxy-10-methyl-acridin-9-one
  • 1,3-dihydroxy-2,5,6-trimethoxy-10-methylacridin-9-one
  • 9(10h)-acridinone, 1,3-dihydroxy-2,5,6-trimethoxy-10-methyl-
  • atalafoline
CAS Number(s)
  • 107259-49-4
InChIKey SMZNQRJKSRSJJH-UHFFFAOYSA-N
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