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Substance Name: 1,3-Propanediamine, N-(2-chloroethyl)-N'-(7-(trifluoromethyl)-4-quinolinyl)-, dihydrochloride
RN: 38914-93-1
InChIKey: BMONXVDJPAQDBC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H17-Cl-F3-N3.2Cl-H

Molecular Weight

  • 404.6891
 
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Names and Synonyms

Synonyms

  • 4-((3-((2-Chloroethyl)amino)propyl)amino)-7-trifluoromethylquinoline dihydrochloride
  • ICR 380
  • Quinoline, 4-((3-((2-chloroethyl)amino)propyl)amino)-7-trifluoromethyl-, dihydrochloride

Systematic Name

  • 1,3-Propanediamine, N-(2-chloroethyl)-N'-(7-(trifluoromethyl)-4-quinolinyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 38914-93-1

System Generated Number

  • 0038914931

Molecular Formulas

Molecular Formula

  • C15-H17-Cl-F3-N3.2Cl-H

Molecular Formula Fragments

  • C15-H17-Cl-F3-N3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H17ClF3N3.2ClH/c16-5-9-20-6-1-7-21-13-4-8-22-14-10-11(15(17,18)19)2-3-12(13)14;;/h2-4,8,10,20H,1,5-7,9H2,(H,21,22);2*1H

InChIKey

BMONXVDJPAQDBC-UHFFFAOYSA-N

Smiles

c1cc2c(ccnc2cc1C(F)(F)F)NCCCNCCCl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 101mg/kg (101mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.