3-[3-[[2-(3,4-Dimethoxyphenyl)Ethyl]Methylamino]Propyl]-1,3,4,5-Tetrahydro-7,8-Dimethoxy-2H-3-Benzazepin-2-One

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Formula C26H36N2O5
IUPAC Name 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1h-3-benzazepin-4-one
Molecular Mass 456.574 g·mol−1
Heat of Formation -690.0 ± 16.7 kJ·mol−1
Dipole Moment 7.06 ± 1.08 D
Volume 573.43 Å 3
Surface Area 461.56 Å 2
HOMO Energy -7.93 ± 0.55 eV
LUMO Energy 2.87 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(3-((3,4-dimethoxyphenethyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-2h-3-benzazepin-2-one
  • 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1h-3-benzazepin-4-one
  • 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1h-3-benzazepin-4-one
  • zatebradine
InChIKey KEDQCFRVSHYKLR-UHFFFAOYSA-N
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