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Substance Name: Pyridinium, 2-(((2-amino-2-carboxyethyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride, (R)-
RN: 124486-06-2
InChIKey: PREGAFQCNBLDAN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-F3-N4-O3-S2.Cl

Molecular Weight

  • 508.971
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 124486-06-2

System Generated Number

  • 0124486062

Molecular Formulas

Molecular Formula

  • C19-H20-F3-N4-O3-S2.Cl

Molecular Formula Fragments

  • C19-H20-F3-N4-O3-S2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C19H19F3N4O3S2.ClH/c1-10-15(9-31-30-8-12(23)17(27)28)26(6-5-16(10)29-2)18-24-13-4-3-11(19(20,21)22)7-14(13)25-18;/h3-7,12H,8-9,23H2,1-2H3,(H-,24,25,27,28);1H

InChIKey

PREGAFQCNBLDAN-UHFFFAOYSA-N

Smiles

Cc1c(cc[n+](c1CSSCC(C(=O)O)N)c2[nH]c3ccc(cc3n2)C(F)(F)F)OC.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1250mg/kg (1250mg/kg)   United States Patent Document. Vol. #4766133,