Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate
RN: 101931-54-8
InChIKey: CGMWKYLAZZJWGZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H28-Cl2-N2-O2.2C6-H3-O7.H2-O

Molecular Weight

  • 773.4896
 
* 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

  • 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate

Registry Numbers

CAS Registry Number

  • 101931-54-8

System Generated Number

  • 0101931548

Molecular Formulas

Molecular Formula

  • C13-H28-Cl2-N2-O2.2C6-H3-O7.H2-O

Molecular Formula Fragments

  • C13-H28-Cl2-N2-O2
  • C6-H3-O7
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C13H28Cl2N2O2.2C6H3N3O7/c1-3-16(18,4-2)10-6-5-7-11-17(19,12-8-14)13-9-15;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-13H2,1-2H3;2*1-2,10H

InChIKey

CGMWKYLAZZJWGZ-UHFFFAOYSA-N

Smiles

CC[N+](CC)(CCCCC[N+](CCCl)(CCCl)[O-])[O-].c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 175mg/kg (175mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 9, Pg. 343, 1961.