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Substance Name: 4-Quinolineamine, N-(2-((2-chloroethyl)thio)ethyl)-7-(trifluoromethyl)-, hydrochloride
RN: 38914-94-2
InChIKey: MKNNXAYNWPJYGI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-Cl-F3-N2-S.Cl-H

Molecular Weight

  • 371.2525
 
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Names and Synonyms

Synonyms

  • 4-((2-((2-Chloroethyl)thio)ethyl)amino)-7-trifluoromethylquinoline hydrochloride
  • ICR 336
  • Quinoline, 4-((2-((2-chloroethyl)thio)ethyl)amino)-7-trifluoromethyl-, hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 38914-94-2

System Generated Number

  • 0038914942

Molecular Formulas

Molecular Formula

  • C14-H14-Cl-F3-N2-S.Cl-H

Molecular Formula Fragments

  • C14-H14-Cl-F3-N2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H14ClF3N2S.ClH/c15-4-7-21-8-6-20-12-3-5-19-13-9-10(14(16,17)18)1-2-11(12)13;/h1-3,5,9H,4,6-8H2,(H,19,20);1H

InChIKey

MKNNXAYNWPJYGI-UHFFFAOYSA-N

Smiles

c1cc2c(ccnc2cc1C(F)(F)F)NCCSCCCl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 93mg/kg (93mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.