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Substance Name: Xanthiol hydrochloride
RN: 17162-32-2
UNII: DY0Q615ZBN
InChIKey: WCSMSWYAHBNGDC-UHFFFAOYSA-N

Molecular Formulas

  • C23-H29-Cl-N2-O-S.2Cl-H
  • C23-H31-Cl3-N2-O-S

Molecular Weight

  • 489.9359
 
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Names and Synonyms

Name of Substance

  • Xanthiol hydrochloride

Synonyms

  • 2-Chloro-10-(3-(1-(3-hydroxypropyl)-4-piperazinyl)propyl)thiaxanthene dihydrochloride
  • 2-Chloro-9-(3-(4-(3-hydroxypropyl)piperazinyl)propyl)thioxanthene dihydrochloride
  • 4-(3-(2-Chlorothioxanthen-9-yl)propyl)-1-piperazinepropanol dihydrochloride
  • Daxid
  • NSC 78224
  • S 9-888
  • UNII-DY0Q615ZBN
  • Xanthiol HCl
  • Xanthiol hydrochloride

Systematic Names

  • 1-Piperazinepropanol, 4-(3-(2-chloro-9H-thioxanthen-9-yl)propyl)-, dihydrochloride
  • 1-Piperazinepropanol, 4-(3-(2-chlorothioxanthen-9-yl)propyl)-, dihydrochloride (8CI)

Registry Numbers

CAS Registry Number

  • 17162-32-2

FDA UNII

  • DY0Q615ZBN

System Generated Number

  • 0017162322

Molecular Formulas

Molecular Formulas

  • C23-H29-Cl-N2-O-S.2Cl-H
  • C23-H31-Cl3-N2-O-S

Molecular Formula Fragments

  • C23-H29-Cl-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29ClN2OS.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;;/h1-2,5,7-9,17,19,27H,3-4,6,10-16H2;2*1H

InChIKey

WCSMSWYAHBNGDC-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C(c3cc(ccc3S2)Cl)CCCN4CCN(CC4)CCCO.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 190mg/kg (190mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 19, Pg. 24, 1960.
mouse LD50 intravenous 92mg/kg (92mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 19, Pg. 24, 1960.
mouse LD50 oral 156mg/kg (156mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 91, 1972.