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Substance Name: Picolinic acid, 5-(p-chlorophenoxy)-, calcium salt (2:1)
RN: 72133-64-3
InChIKey: BILOCQRXJYLUHR-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H14-Cl2-N2-O6.Ca

Molecular Weight

  • 537.3666
 
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Names and Synonyms

Synonyms

  • 2-Pyridinecarboxylic acid, 5-(4-chlorophenoxy)-, calcium salt
  • 5-(p-Chlorophenoxy)picolinic acid calcium salt (2:1)

Systematic Name

  • Picolinic acid, 5-(p-chlorophenoxy)-, calcium salt (2:1)

Registry Numbers

CAS Registry Number

  • 72133-64-3

System Generated Number

  • 0072133643

Molecular Formulas

Molecular Formula

  • C24-H14-Cl2-N2-O6.Ca

Molecular Formula Fragments

  • C24-H14-Cl2-N2-O6
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C12H8ClNO3.Ca/c2*13-8-1-3-9(4-2-8)17-10-5-6-11(12(15)16)14-7-10;/h2*1-7H,(H,15,16);/q;;+2/p-2

InChIKey

BILOCQRXJYLUHR-UHFFFAOYSA-L

Smiles

c1cc(ccc1Oc2ccc(nc2)C(=O)[O-])Cl.c1cc(ccc1Oc2ccc(nc2)C(=O)[O-])Cl.[Ca+2]

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.