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Substance Name: Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1)
RN: 72133-63-2
InChIKey: SUMXLORJRYGFQB-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-Cl2-N2-O6.Ca

Molecular Weight

  • 497.3858
 
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Names and Synonyms

Synonyms

  • 2-Pyridinecarboxylic acid, 5-(4-chlorobutoxy)-, calcium salt
  • Calcium 5-(4-chlorobutoxy)picolinate (2:1)
  • ND-186H2 calcium salt

Systematic Name

  • Picolinic acid, 5-(4-chlorobutoxy)-, calcium salt (2:1)

Registry Numbers

CAS Registry Number

  • 72133-63-2

System Generated Number

  • 0072133632

Molecular Formulas

Molecular Formula

  • C20-H22-Cl2-N2-O6.Ca

Molecular Formula Fragments

  • C20-H22-Cl2-N2-O6
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C10H12ClNO3.Ca/c2*11-5-1-2-6-15-8-3-4-9(10(13)14)12-7-8;/h2*3-4,7H,1-2,5-6H2,(H,13,14);/q;;+2/p-2

InChIKey

SUMXLORJRYGFQB-UHFFFAOYSA-L

Smiles

c1cc(ncc1OCCCCCl)C(=O)[O-].c1cc(ncc1OCCCCCl)C(=O)[O-].[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 > 1200mg/kg (1200mg/kg)   Journal of Pharmacobio-Dynamics. Vol. 6, Pg. 922, 1983.