Clotiapine

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Properties Simple | Detailed

Formula C18H18ClN3S
IUPAC Name 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine
Molecular Mass 343.874 g·mol−1
Heat of Formation 302.7 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 392.84 Å 3
Surface Area 337.33 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)(1,4)thiazepine
  • 2-chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine
  • 2-chloro-11-(4-methylpiperazino)dibenzo(b,f)(1,4)thiazepine
  • 8-chloro-6-(4-methyl-1-piperazinyl)benzo[b][1,5]benzothiazepine
  • 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,5]benzothiazepine
  • biomol-nt_000008
  • bpbio1_001137
  • clothiapine
  • clothiapine (usan)
  • clotiapine (jan)
  • d01597
  • dibenzo(b,f)(1,4)thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-
  • dibenzo[b,f][1,4]thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-
  • dibenzothiazepine
  • entumin
  • etumine
  • hf 2159
  • pdsp1_000469
  • pdsp2_000467
  • s-805c
CAS Number(s)
  • 2058-52-8
InChIKey KAAZGXDPUNNEFN-UHFFFAOYSA-N
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