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Substance Name: 4-Quinolineamine, N-(3-((2-chloroethyl)thio)propyl)-7-(trifluoromethyl)-, hydrochloride
RN: 38914-95-3
InChIKey: PPHBQUXJELWQCS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H16-Cl-F3-N2-S.Cl-H

Molecular Weight

  • 385.2793
 
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Names and Synonyms

Synonyms

  • 4-((3-((2-Chloroethyl)thio)propyl)amino)-7-trifluoromethylquinoline hydrochloride
  • ICR 328
  • Quinoline, 4-((3-((2-chloroethyl)thio)propyl)amino)-7-trifluoromethyl-, hydrochloride

Systematic Name

  • 4-Quinolineamine, N-(3-((2-chloroethyl)thio)propyl)-7-(trifluoromethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 38914-95-3

System Generated Number

  • 0038914953

Molecular Formulas

Molecular Formula

  • C15-H16-Cl-F3-N2-S.Cl-H

Molecular Formula Fragments

  • C15-H16-Cl-F3-N2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H16ClF3N2S.ClH/c16-5-9-22-8-1-6-20-13-4-7-21-14-10-11(15(17,18)19)2-3-12(13)14;/h2-4,7,10H,1,5-6,8-9H2,(H,20,21);1H

InChIKey

PPHBQUXJELWQCS-UHFFFAOYSA-N

Smiles

c1cc2c(ccnc2cc1C(F)(F)F)NCCCSCCCl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 77mg/kg (77mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.