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Substance Name: 1,3-Propanediamine, N-(2-chloroethyl)-N-ethyl-N'-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, trihydrochloride, dihydrate
RN: 38915-64-9
InChIKey: NPXQXSULULMATJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H27-Cl-N4-O.3Cl-H.2H2-O

Molecular Weight

  • 532.34
 
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Names and Synonyms

Synonym

  • ICR 463

Systematic Name

  • 1,3-Propanediamine, N-(2-chloroethyl)-N-ethyl-N'-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, trihydrochloride, dihydrate

Registry Numbers

CAS Registry Number

  • 38915-64-9

System Generated Number

  • 0038915649

Molecular Formulas

Molecular Formula

  • C24-H27-Cl-N4-O.3Cl-H.2H2-O

Molecular Formula Fragments

  • C24-H27-Cl-N4-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H27ClN4O.3ClH/c1-3-29(14-10-25)13-6-11-27-23-19-7-4-5-8-20(19)28-24-18-9-12-26-16-17(18)15-21(30-2)22(23)24;;;/h4-5,7-9,12,15-16H,3,6,10-11,13-14H2,1-2H3,(H,27,28);3*1H

InChIKey

NPXQXSULULMATJ-UHFFFAOYSA-N

Smiles

CCN(CCCNc1c2ccccc2nc3c1c(cc4c3ccnc4)OC)CCCl.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 2842ug/kg (2.842mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.