Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ethylenediamine, N,N-bis(2-chloroethyl)-N'-ethyl-N'-phenyl-, dipicrate
RN: 101418-42-2
InChIKey: QSFSUQOIKIFATF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-Cl2-N2.2C6-H3-O7

Molecular Weight

  • 747.455
 
* 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

Synonym

  • N,N-Bis(2-chloroethyl)-N'-ethyl-N'-phenylethylenediamine dipicrate

Systematic Name

  • Ethylenediamine, N,N-bis(2-chloroethyl)-N'-ethyl-N'-phenyl-, dipicrate

Registry Numbers

CAS Registry Number

  • 101418-42-2

System Generated Number

  • 0101418422

Molecular Formulas

Molecular Formula

  • C14-H22-Cl2-N2.2C6-H3-O7

Molecular Formula Fragments

  • C14-H22-Cl2-N2
  • C6-H3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C14H22Cl2N2.2C6H3N3O7/c1-2-18(14-6-4-3-5-7-14)13-12-17(10-8-15)11-9-16;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-7H,2,8-13H2,1H3;2*1-2,10H

InChIKey

QSFSUQOIKIFATF-UHFFFAOYSA-N

Smiles

c1(c(c(cc([N+](=O)[O-])c1)[N+](=O)[O-])[O-])[N+](=O)[O-].c1(c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])[O-])[N+](=O)[O-].c1([N+](CC[NH+](CCCl)CCCl)CC)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 30mg/kg (30mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 9, Pg. 343, 1961.