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Substance Name: Pyridinium, 2-((hexyldithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride
RN: 124474-47-1
InChIKey: HDJVOROQYVGKQY-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-F3-N3-O-S2.Cl

Molecular Weight

  • 506.0543
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 124474-47-1

System Generated Number

  • 0124474471

Molecular Formulas

Molecular Formula

  • C22-H27-F3-N3-O-S2.Cl

Molecular Formula Fragments

  • C22-H27-F3-N3-O-S2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27F3N3OS2.ClH/c1-4-5-6-7-12-30-31-14-19-15(2)20(29-3)10-11-28(19)21-26-17-9-8-16(22(23,24)25)13-18(17)27-21;/h8-11,13H,4-7,12,14H2,1-3H3,(H,26,27);1H/q+1;/p-1

InChIKey

HDJVOROQYVGKQY-UHFFFAOYSA-M

Smiles

CCCCCCSSCc1c(c(cc[n+]1c2[nH]c3ccc(cc3n2)C(F)(F)F)OC)C.[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,