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Substance Name: 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(2-pyridinylmethyl)-, trihydrochloride, hemihydrate
RN: 64107-50-2
InChIKey: BYVSUZHWCBCAOR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-N6-O-S.3Cl-H.1/2H2-O

Molecular Weight

  • 465.8347
 
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Names and Synonyms

  • 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(2-pyridinylmethyl)-, trihydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 64107-50-2

System Generated Number

  • 0064107502

Molecular Formulas

Molecular Formula

  • C17-H20-N6-O-S.3Cl-H.1/2H2-O

Molecular Formula Fragments

  • C17-H20-N6-O-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H20N6OS.3ClH/c1-12-15(22-11-21-12)10-25-7-6-19-17-20-9-13(16(24)23-17)8-14-4-2-3-5-18-14;;;/h2-5,9,11H,6-8,10H2,1H3,(H,21,22)(H2,19,20,23,24);3*1H

InChIKey

BYVSUZHWCBCAOR-UHFFFAOYSA-N

Smiles

Cc1c(nc[nH]1)CSCCNc2[nH]cc(c(=O)n2)Cc3ccccn3.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 9497ug/kg (9.497mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 65, 1989.