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Substance Name: 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, dipicrate
RN: 101931-55-9
InChIKey: ATOOZNMYJHHLIJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H28-Cl2-N2.2C6-H3-O7

Molecular Weight

  • 741.4916
 
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Names and Synonyms

Synonym

  • N,N-Bis(2-chloroethyl)-N',N'-diethyl-1,5-pentanediamine dipicrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101931-55-9

System Generated Number

  • 0101931559

Molecular Formulas

Molecular Formula

  • C13-H28-Cl2-N2.2C6-H3-O7

Molecular Formula Fragments

  • C13-H28-Cl2-N2
  • C6-H3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C13H28Cl2N2.2C6H3N3O7/c1-3-16(4-2)10-6-5-7-11-17(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

ATOOZNMYJHHLIJ-UHFFFAOYSA-N

Smiles

CCN(CC)CCCCCN(CCCl)CCCl.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 3mg/kg (3mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 9, Pg. 343, 1961.