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Substance Name: Pyrimidine, 4-(1,4'-bipyridin-1'-yl)-2,6-diamino-, 1-oxide, dihydrochloride, hemihydrate
RN: 83540-15-2
InChIKey: VYIBYBTXLKIGFF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H24-N6-O.2Cl-H.1/2H2-O

Molecular Weight

  • 365.3064
 
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Names and Synonyms

Synonyms

  • 2,4-Pyrimidinediamine, 6-(1,4'-bipiperidin)-1'-yl-, 3-oxide, dihydrochloride, hemihydrate
  • 4-(1,4'-Bipyridin-1'-yl)-2,6-diaminopyrimidine 1-oxide dihydrochloride hemihydrate

Systematic Name

  • Pyrimidine, 4-(1,4'-bipyridin-1'-yl)-2,6-diamino-, 1-oxide, dihydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 83540-15-2

System Generated Number

  • 0083540152

Molecular Formulas

Molecular Formula

  • C14-H24-N6-O.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C14-H24-N6-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H24N6O.2ClH/c15-12-10-13(17-14(16)20(12)21)19-8-4-11(5-9-19)18-6-2-1-3-7-18;;/h10-11H,1-9,15H2,(H2,16,17);2*1H

InChIKey

VYIBYBTXLKIGFF-UHFFFAOYSA-N

Smiles

c1c([n+](c(nc1N2CCC(CC2)N3CCCCC3)N)[O-])N.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 195mg/kg (195mg/kg)   Bollettino Chimico Farmaceutico. Vol. 121, Pg. 16, 1982.
mouse LD50 oral > 500mg/kg (500mg/kg)   Bollettino Chimico Farmaceutico. Vol. 121, Pg. 16, 1982.