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Substance Name: Pyridinium, 2-formyl-1-methyl-, trichloroacetate, oxime
RN: 3687-33-0
InChIKey: HTCIHGOJCMLZPW-UHFFFAOYSA-O

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H9-N2-O.C2-Cl3-O2

Molecular Weight

  • 300.548
 
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Names and Synonyms

Synonyms

  • 2-Formyl-1-methylpyridinium trichloroacetate oxime
  • TCIA

Systematic Names

  • Pyridinium, 2-((hydroxyimino)methyl)-1-methyl-, salt with trichloroacetic acid (1:1) (9CI)
  • Pyridinium, 2-formyl-1-methyl-, trichloroacetate, oxime

Registry Numbers

CAS Registry Number

  • 3687-33-0

Related Registry Number

  • 6735-59-7 (Parent)

System Generated Number

  • 0003687330

Molecular Formulas

Molecular Formula

  • C7-H9-N2-O.C2-Cl3-O2

Molecular Formula Fragments

  • C2-Cl3-O2
  • C7-H9-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C7H8N2O.C2HCl3O2/c1-9-5-3-2-4-7(9)6-8-10;3-2(4,5)1(6)7/h2-6H,1H3;(H,6,7)/p+1

InChIKey

HTCIHGOJCMLZPW-UHFFFAOYSA-O

Smiles

C(C(Cl)(Cl)Cl)(=O)O.c1(cccc[n+]1C)\C=N\O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 218mg/kg (218mg/kg)   Toxicology and Applied Pharmacology. Vol. 5, Pg. 588, 1963.