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Substance Name: N,N-Bis(2-chloroethyl)-3-chloropropionamidine
RN: 89353-72-0
InChIKey: BYJYHUQSAYDCOF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H13-Cl3-N2.C2-H2-O4.3H2-O

Molecular Weight

  • 231.553
 
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Names and Synonyms

Name of Substance

  • N,N-Bis(2-chloroethyl)-3-chloropropionamidine

Synonym

  • N,N-Bis(2-chloroethyl)-3-chloropropionamidine oxalate trihydrate

Systematic Name

  • Propanimidamide, 3-chloro-N,N-bis(2-chloroethyl)-, ethanedioate, trihydrate

Registry Numbers

CAS Registry Number

  • 89353-72-0

Related Registry Numbers

  • 102999-09-7 (oxalate(1:1))
  • 89353-73-1 (oxalate(2:1))

System Generated Number

  • 0089353720

Molecular Formulas

Molecular Formula

  • C7-H13-Cl3-N2.C2-H2-O4.3H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C7H13Cl3N2/c8-2-1-7(11)12(5-3-9)6-4-10/h11H,1-6H2

InChIKey

BYJYHUQSAYDCOF-UHFFFAOYSA-N

Smiles

C(CCCl)(=N)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 63mg/kg (63mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 247, 1986.