Zuclopenthixol

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Properties Simple | Detailed

Formula C22H25ClN2OS
IUPAC Name 2-[4-[(3z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
Molecular Mass 400.965 g·mol−1
Heat of Formation 48.0 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 472.9 Å 3
Surface Area 417.87 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-4-(3-(2-chlorothioxanthen-9-ylidene)propyl)-1-piperazineethanol
  • 1-piperazineethanol, 4-[(3z)-3-(2-chloro-9h-thioxanthen-9-ylidene)propyl]-
  • 2-[4-[(3z)-3-(2-chloro-9-thioxanthenylidene)propyl]-1-piperazinyl]ethanol
  • 2-[4-[(3z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
  • bpbio1_001205
  • clopenthixol (usan)
  • clopentixol cis-(z)-
  • d02613
  • d03556
  • pdsp1_001122
  • pdsp2_001106
  • zuclopenthixol (inn)
  • zuclopenthixol [ban:inn]
  • zuclopenthixolum [latin]
  • zuclopentixol [spanish]
CAS Number(s)
  • 53772-83-1
InChIKey WFPIAZLQTJBIFN-DVZOWYKESA-N
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