(1S,9S)-9-{[(2S)-1-Ethoxy-1-Oxo-4-Phenyl-2-Butanyl]Amino}-10-Oxooctahydro-6H-Pyridazino[1,2-A][1,2]Diazepine-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C22H31N3O5
IUPAC Name (4s,7s,11r)-7-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid
Molecular Mass 417.499 g·mol−1
Heat of Formation -821.7 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 503.59 Å 3
Surface Area 377.27 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,9s)-9-[[(1s)-1-carbethoxy-3-phenyl-propyl]amino]-10-keto-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid
  • (1s,9s)-9-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid
  • (1s,9s)-9-[[(1s)-1-ethoxycarbonyl-3-phenylpropyl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid
  • (1s,9s)-9-[[(2s)-1-ethoxy-1-oxo-4-phenyl-butan-2-yl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
  • (1s,9s)-9-[[(2s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid
  • 6h-pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid, 9-(((1s)-1-(ethoxycarbonyl)-3-phenylpropyl)amino)octahydro-10-oxo-, (1s,9s)-
  • 6h-pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid, 9-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)octahydro-10-oxo-, (1s-(1alpha,9alpha(r*)))-
  • cilazapril anhydrous
  • cilazaprilum [latin]
  • cilazil
  • dynorm
  • inibace
  • justor
  • ro 34-2848
  • ro-312848
  • vascace
InChIKey HHHKFGXWKKUNCY-FHWLQOOXSA-N
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