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Substance Name: 1,4-Piperazinedicarboxamidine, N,N''-bis((p-chlorophenyl)amidino)-2-methyl-, hydrochloride, hydrate (2:4:1)
RN: 19803-63-5
InChIKey: KQEOFFITQBHKMX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-Cl2-N10.2Cl-H.1/2H2-O

Molecular Weight

  • 562.334
 
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Names and Synonyms

Synonym

  • N,N''-Bis((p-chlorophenyl)amidino)-2-methyl-1,4-piperazinedicarboxamidine HCl hydrate

Systematic Name

  • 1,4-Piperazinedicarboxamidine, N,N''-bis((p-chlorophenyl)amidino)-2-methyl-, hydrochloride, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 19803-63-5

System Generated Number

  • 0019803635

Molecular Formulas

Molecular Formula

  • C21-H26-Cl2-N10.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C21-H26-Cl2-N10
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H26Cl2N10.2ClH/c1-13-12-32(20(26)30-18(24)28-16-6-2-14(22)3-7-16)10-11-33(13)21(27)31-19(25)29-17-8-4-15(23)5-9-17;;/h2-9,13H,10-12H2,1H3,(H4,24,26,28,30)(H4,25,27,29,31);2*1H

InChIKey

KQEOFFITQBHKMX-UHFFFAOYSA-N

Smiles

N1(CCN(C[C@@H]1C)C(=N)NC(Nc1ccc(cc1)Cl)=N)C(=N)NC(Nc1ccc(cc1)Cl)=N.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 942, 1968.