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Substance Name: Picolinic acid, 5-(alpha,alpha,alpha-trifluoro-o-tolyloxy)-, calcium salt (2:1)
RN: 89816-16-0
InChIKey: UZZZECCWHIJPPX-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H14-F6-N2-O6.Ca

Molecular Weight

  • 604.4706
 
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Names and Synonyms

Synonyms

  • 2-Pyridinecarboxylic acid, 5-(2-(trifluoromethyl)phenoxy)-, calcium salt
  • 5-(alpha,alpha,alpha-Trifluoro-o-tolyloxy)picolinic acid calcium salt

Systematic Name

  • Picolinic acid, 5-(alpha,alpha,alpha-trifluoro-o-tolyloxy)-, calcium salt (2:1)

Registry Numbers

CAS Registry Number

  • 89816-16-0

System Generated Number

  • 0089816160

Molecular Formulas

Molecular Formula

  • C26-H14-F6-N2-O6.Ca

Molecular Formula Fragments

  • C26-H14-F6-N2-O6
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C13H8F3NO3.Ca/c2*14-13(15,16)9-3-1-2-4-11(9)20-8-5-6-10(12(18)19)17-7-8;/h2*1-7H,(H,18,19);/q;;+2/p-2

InChIKey

UZZZECCWHIJPPX-UHFFFAOYSA-L

Smiles

[Ca+2].[O-]C(=O)c1ccc(Oc2ccccc2C(F)(F)F)cn1.[O-]C(=O)c3ccc(Oc4ccccc4C(F)(F)F)cn3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 300mg/kg (300mg/kg)   Journal of Pharmacobio-Dynamics. Vol. 6, Pg. 922, 1983.
mouse LD50 oral 800mg/kg (800mg/kg)   Journal of Pharmacobio-Dynamics. Vol. 6, Pg. 922, 1983.