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Substance Name: Pyridinium, 2-(carbonylmethyl)-1,6-dimethyl-, iodide, dimethyl mercaptal
RN: 104664-39-3
InChIKey: IALKWHNHXRIUQU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N-S2.I

Molecular Weight

  • 367.2696
 
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Names and Synonyms

Synonyms

  • 2-(Carbonylmethyl)-1,6-dimethylpyridinium iodide dimethyl mercaptal
  • Pyridinium, 2-(2,2-bis(methylthio)ethenyl)-1,6-dimethyl-, iodide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104664-39-3

System Generated Number

  • 0104664393

Molecular Formulas

Molecular Formula

  • C11-H16-N-S2.I

Molecular Formula Fragments

  • C11-H16-N-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C11H13NOS2.HI/c1-4-8-7(2)10(14)11(15)9(5-6-13)12(8)3;/h5,15H,4H2,1-3H3;1H

InChIKey

IALKWHNHXRIUQU-UHFFFAOYSA-N

Smiles

CCc1c(c(c(c([n+]1C)C=C=O)S)S)C.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 57, 1987.