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Substance Name: Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride
RN: 124474-53-9
InChIKey: IVZUGQCSWWFWHM-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-F3-N4-O-S2.Cl

Molecular Weight

  • 464.962
 
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Names and Synonyms

  • Pyridinium, 2-(((2-aminoethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride

Registry Numbers

CAS Registry Number

  • 124474-53-9

System Generated Number

  • 0124474539

Molecular Formulas

Molecular Formula

  • C18-H20-F3-N4-O-S2.Cl

Molecular Formula Fragments

  • C18-H20-F3-N4-O-S2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C18H20F3N4OS2.ClH/c1-11-15(10-28-27-8-6-22)25(7-5-16(11)26-2)17-23-13-4-3-12(18(19,20)21)9-14(13)24-17;/h3-5,7,9H,6,8,10,22H2,1-2H3,(H,23,24);1H/q+1;/p-1

InChIKey

IVZUGQCSWWFWHM-UHFFFAOYSA-M

Smiles

Cc1c(cc[n+](c1CSSCCN)c2[nH]c3ccc(cc3n2)C(F)(F)F)OC.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 312mg/kg (312mg/kg)   United States Patent Document. Vol. #4766133,