Ivabradine

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Formula C27H36N2O5
IUPAC Name 3-[3-[[(7s)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1h-3-benzazepin-4-one
Molecular Mass 468.585 g·mol−1
Heat of Formation -589.7 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 574.32 Å 3
Surface Area 398.9 Å 2
HOMO Energy -7.94 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-3-(3-(((3,4-dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-2h-3-benzazepin-2-one
  • 2h-3-benzazepin-2-one, 3-(3-(((3,4-dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-, (s)-
  • 3-[3-[[(8s)-3,4-dimethoxy-8-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1h-3-benzazepin-4-one
  • 3-[3-[[(8s)-3,4-dimethoxy-8-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1h-3-benzazepin-4-one
  • 7,8-dimethoxy-3-(3-(((4,5-dimethoxybenzocyclobutan-1-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-2h-benzazepin-2-one
  • s 16257
  • s 16257-2
CAS Number(s)
  • 148870-61-5
  • 155974-00-8
InChIKey ACRHBAYQBXXRTO-OAQYLSRUSA-N
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