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Substance Name: 1,2-Ethanediamine, N-(2-chloroethyl)-N-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, dihydrochloride, hydrate (2:5)
RN: 39040-00-1
InChIKey: GDIVQDBGRYCUNQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C21-H21-Cl-N4-O.2Cl-H
  • C21-H21-Cl-N4-O.2Cl-H.5/2H2-O

Molecular Weight

  • 453.7987
 
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Names and Synonyms

Synonym

  • ICR 423

Systematic Names

  • 1,2-Ethanediamine, N-(2-chloroethyl)-N-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, dihydrochloride
  • 1,2-Ethanediamine, N-(2-chloroethyl)-N-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, dihydrochloride, hydrate (2:5)

Registry Numbers

CAS Registry Number

  • 39040-00-1

System Generated Number

  • 0039040001

Molecular Formulas

Molecular Formulas

  • C21-H21-Cl-N4-O.2Cl-H
  • C21-H21-Cl-N4-O.2Cl-H.5/2H2-O

Molecular Formula Fragments

  • C21-H21-Cl-N4-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H21ClN4O.2ClH/c1-27-17-13-14-5-4-9-24-19(14)21-18(17)20(25-12-11-23-10-8-22)15-6-2-3-7-16(15)26-21;;/h2-7,9,13,23H,8,10-12H2,1H3,(H,25,26);2*1H

InChIKey

GDIVQDBGRYCUNQ-UHFFFAOYSA-N

Smiles

COc1cc2cccnc2c3c1c(c4ccccc4n3)NCCNCCCl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 30mg/kg (30mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.