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Substance Name: 1,3-Propanediamine, N,N-bis(2-chloroethyl)-N'-(6-methoxybenzo(b)(1,10)phenanthrolin-7-yl)-, dihydrochloride, dihydrate
RN: 38915-65-0
InChIKey: GMOACYIRCKXTGE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H26-Cl2-N4-O.2Cl-H.2H2-O

Molecular Weight

  • 530.3242
 
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Names and Synonyms

Synonyms

  • 7-((3-(Bis(2-chloroethyl)amino)propyl)amino)-6-methoxybenzo(b)(1,10)phenanthroline 2HCl 2H2O
  • ICR 425

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 38915-65-0

System Generated Number

  • 0038915650

Molecular Formulas

Molecular Formula

  • C24-H26-Cl2-N4-O.2Cl-H.2H2-O

Molecular Formula Fragments

  • C24-H26-Cl2-N4-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H26Cl2N4O.2ClH/c1-31-21-15-17-16-27-11-7-18(17)24-22(21)23(19-5-2-3-6-20(19)29-24)28-10-4-12-30(13-8-25)14-9-26;;/h2-3,5-7,11,15-16H,4,8-10,12-14H2,1H3,(H,28,29);2*1H

InChIKey

GMOACYIRCKXTGE-UHFFFAOYSA-N

Smiles

COc1cc2cnccc2c3c1c(c4ccccc4n3)NCCCN(CCCl)CCCl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 850ug/kg (0.85mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.