8-Chloro-11-(1-Piperazinyl)-10H-Dibenzo[B,E][1,4]Diazepine

Molecule SVG Image

Properties Simple | Detailed

Formula C17H17ClN4
IUPAC Name 3-chloro-6-piperazin-1-yl-5h-benzo[b][1,4]benzodiazepine
Molecular Mass 312.797 g·mol−1
Heat of Formation 407.2 ± 16.7 kJ·mol−1
Dipole Moment 6.32 ± 1.08 D
Volume 357.83 Å 3
Surface Area 314.02 Å 2
HOMO Energy -7.71 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 3-chloro-6-(1-piperazinyl)-5h-benzo[c][1,5]benzodiazepine
  • 3-chloro-6-piperazin-1-yl-5h-benzo[c][1,5]benzodiazepine
  • 5h-dibenzo(b,e)(1,4)diazepine, 8-chloro-11-(1-piperazinyl)-
  • 8-chloro-11-(1-piperazinyl)-5h-dibenzo(b,e)(1,4)diazepine
  • 8-chloro-11-(1-piperazinyl)-5h-dibenzo[b,e][1,4]diazepine
  • 8-chloro-11-piperazin-1-yl-5h-dibenzo[b,e][1,4]diazepine
  • 8-chloro-11-piperazinyl-5h-dibenzo[b,e][1,4]diazepine
  • desmethylclozapine
  • n-desmethyl-clozapine
  • n-desmethylclozapine
  • norclozapine
  • normethylclozapine
  • tocris-1007
CAS Number(s)
  • 6104-71-8
InChIKey HESZUPIXRNZIOI-UHFFFAOYSA-N
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Elements H C N Cl