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Substance Name: Thioxanthene, 2-chloro-9-(3-(4-(3-hydroxypropyl)piperazinyl)propylidene)-, dihydrochloride
RN: 63869-61-4
InChIKey: ROKOBHXGRFTRBT-AUUXLREUSA-N

Molecular Formula

  • C23-H27-Cl-N2-O-S.2Cl-H

Molecular Weight

  • 487.9201
 
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Names and Synonyms

Synonyms

  • 1-Piperazinepropanol, 4-(3-(2-chlorothioxanth-9-ylidene)propyl)-, dihydrochloride
  • 4-(3-(2-Chlorothioxanth-9-ylidene)propyl)-1-piperazinepropanol dihydrochloride
  • N 793

Systematic Name

  • Thioxanthene, 2-chloro-9-(3-(4-(3-hydroxypropyl)piperazinyl)propylidene)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 63869-61-4

System Generated Number

  • 0063869614

Molecular Formulas

Molecular Formula

  • C23-H27-Cl-N2-O-S.2Cl-H

Molecular Formula Fragments

  • C23-H27-Cl-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27ClN2OS.2ClH/c24-18-8-9-23-21(17-18)19(20-5-1-2-7-22(20)28-23)6-3-10-25-12-14-26(15-13-25)11-4-16-27;;/h1-2,5-9,17,27H,3-4,10-16H2;2*1H/b19-6+;;

InChIKey

ROKOBHXGRFTRBT-AUUXLREUSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 118mg/kg (118mg/kg) BEHAVIORAL: SLEEP Acta Pharmacologica et Toxicologica. Vol. 19, Pg. 87, 1962.