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Substance Name: Propanimidamide, N,N-bis(2-chloroethyl)-3-chloro-, ethanedioate, hydrate (2:1:4)
RN: 89353-73-1
InChIKey: QIJZKOXNKFLXOA-UHFFFAOYSA-N

Molecular Formula

  • C7-H13-Cl3-N2.1/2C2-H2-O4.2H2-O

Molecular Weight

  • 553.139
 
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Names and Synonyms

Synonyms

  • N,N-Bis(2-chloroethyl)-3-chloropropanimidamide ethanedioate hydrate (2:1:4)
  • N,N-Bis(chloroethyl)-3-chloropropionamidine hemioxalate dihydrate

Systematic Name

  • Propanimidamide, N,N-bis(2-chloroethyl)-3-chloro-, ethanedioate, hydrate (2:1:4)

Registry Numbers

CAS Registry Number

  • 89353-73-1

Related Registry Number

  • 89353-72-0 (Parent)

System Generated Number

  • 0089353731

Molecular Formulas

Molecular Formula

  • C7-H13-Cl3-N2.1/2C2-H2-O4.2H2-O

Molecular Formula Fragments

  • C2-H2-O4
  • C7-H13-Cl3-N2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C7H13Cl3N2.C2H2O4/c2*8-2-1-7(11)12(5-3-9)6-4-10;3-1(4)2(5)6/h2*11H,1-6H2;(H,3,4)(H,5,6)

InChIKey

QIJZKOXNKFLXOA-UHFFFAOYSA-N

Smiles

C(=N)(N(CCCl)CCCl)CCCl.C(C(=O)O)(=O)O.C(CCCl)(=N)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 63mg/kg (63mg/kg)   Drugs under Experimental and Clinical Research. Vol. 9, Pg. 809, 1983.