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Substance Name: Pyridinium, 2-(((3-ethoxy-1-(ethoxycarbonyl)-3-oxopropyl)dithio)methyl)-4-methoxy-3-methyl-1-(5-(trifluoromethyl)-1H-benzimidazol-2-yl)-, chloride
RN: 124474-44-8
InChIKey: XOVXCCPPIISFAJ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H27-F3-N3-O5-S2.Cl

Molecular Weight

  • 594.0723
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 124474-44-8

System Generated Number

  • 0124474448

Molecular Formulas

Molecular Formula

  • C24-H27-F3-N3-O5-S2.Cl

Molecular Formula Fragments

  • C24-H27-F3-N3-O5-S2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C24H27F3N3O5S2.ClH/c1-5-34-21(31)12-20(22(32)35-6-2)37-36-13-18-14(3)19(33-4)9-10-30(18)23-28-16-8-7-15(24(25,26)27)11-17(16)29-23;/h7-11,20H,5-6,12-13H2,1-4H3,(H,28,29);1H/q+1;/p-1

InChIKey

XOVXCCPPIISFAJ-UHFFFAOYSA-M

Smiles

CCOC(=O)CC(C(=O)OCC)SSCc1c(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 1250mg/kg (1250mg/kg)   United States Patent Document. Vol. #4766133,