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Substance Name: 3-Pyridinecarboxylic acid, 5-fluoro-, 1,6-hexanediyl ester
RN: 23586-89-2
InChIKey: JYLMYTKLNCGRFX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-F2-N2-O4

Molecular Weight

  • 364.346
 
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Names and Synonyms

Synonyms

  • 1,6-Hexanediol, bis(5-fluoronicotinate)
  • 1,6-Hexanediyl 5-fluoro-3-pyridinecarboxylate
  • BRN 0497123

Systematic Name

  • 3-Pyridinecarboxylic acid, 5-fluoro-, 1,6-hexanediyl ester

Registry Numbers

CAS Registry Number

  • 23586-89-2

System Generated Number

  • 0023586892

Structure Descriptors

InChI

1S/C18H18F2N2O4/c19-15-7-13(9-21-11-15)17(23)25-5-3-1-2-4-6-26-18(24)14-8-16(20)12-22-10-14/h7-12H,1-6H2

InChIKey

JYLMYTKLNCGRFX-UHFFFAOYSA-N

Smiles

C(CCCCCOC(=O)c1cncc(c1)F)OC(=O)c1cncc(c1)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Acta Pharmaceutica Suecica. Vol. 9, Pg. 221, 1972.