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Substance Name: Pyridinium, 2,6-bis(carbonylmethyl)-1-methyl-, iodide, bis(dimethyl mercaptal)
RN: 104664-44-0
InChIKey: OFFABDJJVYNCDL-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-N-S4.I

Molecular Weight

  • 457.483
 
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Names and Synonyms

Synonyms

  • 2,6-Bis(carbonylmethyl)-1-methylpyridinium iodide bis(dimethyl mercaptal)
  • Pyridinium, 2,6-(2,2-bis(methylthio)ethenyl)-1-methyl-, iodide

Systematic Name

  • Pyridinium, 2,6-bis(carbonylmethyl)-1-methyl-, iodide, bis(dimethyl mercaptal)

Registry Numbers

CAS Registry Number

  • 104664-44-0

System Generated Number

  • 0104664440

Molecular Formulas

Molecular Formula

  • C14-H20-N-S4.I

Molecular Formula Fragments

  • C14-H20-N-S4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C14H20NS4.HI/c1-15-11(9-13(16-2)17-3)7-6-8-12(15)10-14(18-4)19-5;/h6-10H,1-5H3;1H/q+1;/p-1

InChIKey

OFFABDJJVYNCDL-UHFFFAOYSA-M

Smiles

C[n+]1c(cccc1C=C(SC)SC)C=C(SC)SC.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 57, 1987.