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Substance Name: 1,4-Piperazinedicarboxamidine, N,N''-bis((p-fluorophenyl)amidino)-, dihydrochloride, hydrate
RN: 19803-68-0
InChIKey: DXXMCGKPPCDNLW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-F2-N10.2Cl-H.H2-O

Molecular Weight

  • 515.397
 
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Names and Synonyms

Synonym

  • N,N''-Bis((p-fluorophenyl)amidino)-1,4-piperazinedicarboxamidine dihydrochloride hydrate

Systematic Name

  • 1,4-Piperazinedicarboxamidine, N,N''-bis((p-fluorophenyl)amidino)-, dihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 19803-68-0

System Generated Number

  • 0019803680

Molecular Formulas

Molecular Formula

  • C20-H24-F2-N10.2Cl-H.H2-O

Molecular Formula Fragments

  • C20-H24-F2-N10
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H24F2N10.2ClH/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16;;/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30);2*1H

InChIKey

DXXMCGKPPCDNLW-UHFFFAOYSA-N

Smiles

N1(CCN(CC1)C(=N)NC(Nc1ccc(cc1)F)=N)C(=N)NC(Nc1ccc(cc1)F)=N.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 16mg/kg (16mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 942, 1968.