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Substance Name: 1,2-Ethanediamine, N-benzo(b)(1,8)phenanthrolin-7-yl-N'-(2-chloroethyl)-, dihydrochloride, hydrate
RN: 38915-60-5
InChIKey: XOZCNOOVMKDJBI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H19-Cl-N4.2Cl-H.H2-O

Molecular Weight

  • 423.7729
 
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Names and Synonyms

Synonyms

  • 7-((2-((2-Chloroethyl)amino)ethyl)amino)benzo(b)(1,8)phenanthroline dihydrochloride hydrate
  • Benzo(b)(1,8)phenanthroline, 7-((2-((2-chloroethyl)amino)ethyl)amino)-, 2HCl, hydrate
  • ICR 428

Systematic Name

  • 1,2-Ethanediamine, N-benzo(b)(1,8)phenanthrolin-7-yl-N'-(2-chloroethyl)-, dihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 38915-60-5

System Generated Number

  • 0038915605

Molecular Formulas

Molecular Formula

  • C20-H19-Cl-N4.2Cl-H.H2-O

Molecular Formula Fragments

  • C20-H19-Cl-N4
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H19ClN4.2ClH/c21-8-10-22-11-12-24-19-16-3-1-2-4-18(16)25-20-15-7-9-23-13-14(15)5-6-17(19)20;;/h1-7,9,13,22H,8,10-12H2,(H,24,25);2*1H

InChIKey

XOZCNOOVMKDJBI-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(c3ccc4cnccc4c3n2)NCCNCCCl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 66mg/kg (66mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.