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Substance Name: beta-Clopenthixol dihydrochloride
RN: 58045-22-0
UNII: L3KM17324B
InChIKey: LPWNZMIBFHMYMX-MONHGIHASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-Cl-N2-O-S.2Cl-H

Molecular Weight

  • 473.8933
 
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Names and Synonyms

Results Name

  • beta-Clopenthixol dihydrochloride

Name of Substance

  • Clopenthixol dihydrochloride, trans

Synonyms

  • (E)-4-(3-(2-Chloro-9H-thioxanthen-9-ylidene)propyl)-1-piperazineethanol dihydrochloride
  • beta-Clopenthixol dihydrochloride
  • beta-Clopenthixol HCl
  • trans-Clopenthixol hydrochloride
  • UNII-L3KM17324B

Systematic Name

  • 1-Piperazineethanol, 4-(3-(2-chloro-9H-thioxanthen-9-ylidene)propyl)-, dihydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 58045-22-0

FDA UNII

  • L3KM17324B

System Generated Number

  • 0058045220

Molecular Formulas

Molecular Formula

  • C22-H25-Cl-N2-O-S.2Cl-H

Molecular Formula Fragments

  • C22-H25-Cl-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25ClN2OS.2ClH/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26;;/h1-2,4-8,16,26H,3,9-15H2;2*1H/b18-5+;;

InChIKey

LPWNZMIBFHMYMX-MONHGIHASA-N

Smiles

c1ccc2c(c1)/C(=C\CCN3CCN(CC3)CCO)/c4cc(ccc4S2)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 134mg/kg (134mg/kg)   United States Patent Document. Vol. #3996211,