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Substance Name: Pyridinium, 3-carboxy-1-methyl-, iodide, ester with choline iodide
RN: 108847-17-2
InChIKey: YUYNXVIZIZJRRU-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-N2-O2.2I

Molecular Weight

  • 478.102
 
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Names and Synonyms

Synonym

  • 3-Carboxy-1-methylpyridinium iodide ester with choline iodide

Systematic Name

  • Pyridinium, 3-carboxy-1-methyl-, iodide, ester with choline iodide

Registry Numbers

CAS Registry Number

  • 108847-17-2

System Generated Number

  • 0108847172

Molecular Formulas

Molecular Formula

  • C12-H20-N2-O2.2I

Molecular Formula Fragments

  • C12-H20-N2-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C12H20N2O2.2HI/c1-13-7-5-6-11(10-13)12(15)16-9-8-14(2,3)4;;/h5-7,10H,8-9H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

YUYNXVIZIZJRRU-UHFFFAOYSA-L

Smiles

C[n+]1cccc(c1)C(=O)OCC[N+](C)(C)C.[I-].[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 345mg/kg (345mg/kg)   Cesko-Slovenska Farmacie. Vol. 13, Pg. 299, 1964.