Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,6-Hexanediamine, N,N-bis(2-chloroethyl)-N'-(6-methoxybenzi(b)(1,10)phenanthrolin-7-yl)-, dihydrochloride, dihydrate
RN: 39040-01-2
InChIKey: OKNFIFSCVOBDKM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H32-Cl2-N4-O.2Cl-H.2H2-O

Molecular Weight

  • 572.405
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 7-((6-(Bis(2-chloroethyl)amino)hexyl)amino)-6-methoxybenzo(b)(1,10)phenanthroline 2HCl 2H2O
  • ICR 430

Systematic Name

  • 1,6-Hexanediamine, N,N-bis(2-chloroethyl)-N'-(6-methoxybenzi(b)(1,10)phenanthrolin-7-yl)-, dihydrochloride, dihydrate

Registry Numbers

CAS Registry Number

  • 39040-01-2

System Generated Number

  • 0039040012

Molecular Formulas

Molecular Formula

  • C27-H32-Cl2-N4-O.2Cl-H.2H2-O

Molecular Formula Fragments

  • C27-H32-Cl2-N4-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H32Cl2N4O.2ClH/c1-34-23-19-20-9-8-15-30-25(20)27-24(23)26(21-10-4-5-11-22(21)32-27)31-14-6-2-3-7-16-33(17-12-28)18-13-29;;/h4-5,8-11,15,19H,2-3,6-7,12-14,16-18H2,1H3,(H,31,32);2*1H

InChIKey

OKNFIFSCVOBDKM-UHFFFAOYSA-N

Smiles

c12c(c3c(cccn3)cc2OC)nc2ccccc2c1[NH+]CCCCCC[NH+](CCCl)CCCl.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD20 intraperitoneal 608ug/kg (0.608mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 739, 1972.