Pralnacasan

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Properties Simple | Detailed

Formula C26H29N5O7
IUPAC Name (4s,7s)-n-[(2r,3s)-2-ethoxy-5-oxo-tetrahydrofuran-3-yl]-7-(isoquinoline-1-carbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1h-pyridazino[1,2-a]diazepine-4-carboxamide
Molecular Mass 523.538 g·mol−1
Heat of Formation -940.5 ± 16.7 kJ·mol−1
Dipole Moment 1.59 ± 1.08 D
Volume 599.49 Å 3
Surface Area 485.13 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,9s)-n-[(2r,3s)-2-ethoxy-5-keto-tetrahydrofuran-3-yl]-9-(isoquinoline-1-carbonylamino)-6,10-diketo-2,3,4,7,8,9-hexahydro-1h-pyridazino[1,2-a]diazepine-1-carboxamide
  • (1s,9s)-n-[(2r,3s)-2-ethoxy-5-oxo-3-tetrahydrofuranyl]-9-[(1-isoquinolyl-oxomethyl)amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1h-pyridazino[1,2-a]diazepine-1-carboxamide
  • (1s,9s)-n-[(2r,3s)-2-ethoxy-5-oxo-oxolan-3-yl]-9-(isoquinolin-1-ylcarbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1h-pyridazino[1,2-a][1,2]diazepine-1-carboxamide
  • (1s,9s)-n-[(2r,3s)-2-ethoxy-5-oxo-tetrahydrofuran-3-yl]-9-(isoquinoline-1-carbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1h-pyridazino[1,2-a]diazepine-1-carboxamide
  • (1s,9s)-n-[(2r,3s)-2-ethoxy-5-oxooxolan-3-yl]-9-(isoquinoline-1-carbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1h-pyridazino[1,2-a]diazepine-1-carboxamide
  • 6h-pyridazino(1,2-a)(1,2)diazepine-1-carboxamide, n-((2r,3s)-2-ethoxytetrahydro-5-oxo-3-furanyl)octahydro-9-((1-isoquinolinylcarbonyl)amino)-6,10-dioxo-, (1s,9s)-
  • vx 470
CAS Number(s)
  • 192755-52-5
InChIKey CXAGHAZMQSCAKJ-WAHHBDPQSA-N
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