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Substance Name: 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide
RN: 122945-89-5
InChIKey: NVVUJTGEJXRCHG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-Br-N5-O-S.3Br-H

Molecular Weight

  • 675.0799
 
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Names and Synonyms

  • 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide

Registry Numbers

CAS Registry Number

  • 122945-89-5

System Generated Number

  • 0122945895

Molecular Formulas

Molecular Formula

  • C18-H18-Br-N5-O-S.3Br-H

Molecular Formula Fragments

  • Br-H
  • C18-H18-Br-N5-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C18H18BrN5OS.3BrH/c19-15-2-1-5-21-16(15)12-26-9-8-22-18-23-11-14(17(25)24-18)10-13-3-6-20-7-4-13;;;/h1-7,11H,8-10,12H2,(H2,22,23,24,25);3*1H

InChIKey

NVVUJTGEJXRCHG-UHFFFAOYSA-N

Smiles

c1cc(c(nc1)CSCCNc2[nH]cc(c(=O)n2)Cc3ccncc3)Br.Br.Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 162mg/kg (162mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 65, 1989.