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Substance Name: Pyridinium, 1-methyl-2-(2-(methylthio)-2-(1-piperidinyl)ethenyl)-, iodide
RN: 104664-43-9
InChIKey: DBYZUMNRUPTOMA-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N2-S.I

Molecular Weight

  • 376.2999
 
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Names and Synonyms

Synonym

  • 1-Methyl-2-(2-(methylthio)-2-piperidinovinyl)pyridinium iodide

Systematic Name

  • Pyridinium, 1-methyl-2-(2-(methylthio)-2-(1-piperidinyl)ethenyl)-, iodide

Registry Numbers

CAS Registry Number

  • 104664-43-9

System Generated Number

  • 0104664439

Molecular Formulas

Molecular Formula

  • C14-H21-N2-S.I

Molecular Formula Fragments

  • C14-H21-N2-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C14H21N2S.HI/c1-15-9-7-4-8-13(15)12-14(17-2)16-10-5-3-6-11-16;/h4,7-9,12H,3,5-6,10-11H2,1-2H3;1H/q+1;/p-1

InChIKey

DBYZUMNRUPTOMA-UHFFFAOYSA-M

Smiles

C[n+]1ccccc1/C=C(/N2CCCCC2)\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.