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Substance Name: Pyridinium, 2-(((2-chlorophenyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride
RN: 124474-48-2
InChIKey: HMKPDQUZPMPAJJ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H18-Cl-F3-N3-O-S2.Cl

Molecular Weight

  • 532.4362
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 124474-48-2

System Generated Number

  • 0124474482

Molecular Formulas

Molecular Formula

  • C22-H18-Cl-F3-N3-O-S2.Cl

Molecular Formula Fragments

  • C22-H18-Cl-F3-N3-O-S2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C22H18ClF3N3OS2.ClH/c1-13-18(12-31-32-20-6-4-3-5-15(20)23)29(10-9-19(13)30-2)21-27-16-8-7-14(22(24,25)26)11-17(16)28-21;/h3-11H,12H2,1-2H3,(H,27,28);1H/q+1;/p-1

InChIKey

HMKPDQUZPMPAJJ-UHFFFAOYSA-M

Smiles

Cc1c(cc[n+](c1CSSc2ccccc2Cl)c3[nH]c4ccc(cc4n3)C(F)(F)F)OC.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #4766133,