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Substance Name: 3-Pyridinecarboxylic acid, 5-fluoro-, 1-methyl-1,2-ethanediyl ester
RN: 23586-90-5
InChIKey: ZBIBQGWYPMWCPN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H12-F2-N2-O4

Molecular Weight

  • 322.266
 
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Names and Synonyms

Synonyms

  • 1,2-Propanediol, bis(5-fluoronicotinate)
  • 1-Methyl-1,2-ethanediyl 5-fluoro-3-pyridinecarboxylate
  • BRN 0494715

Systematic Name

  • 3-Pyridinecarboxylic acid, 5-fluoro-, 1-methyl-1,2-ethanediyl ester

Registry Numbers

CAS Registry Number

  • 23586-90-5

System Generated Number

  • 0023586905

Structure Descriptors

InChI

1S/C15H12F2N2O4/c1-9(23-15(21)11-3-13(17)7-19-5-11)8-22-14(20)10-2-12(16)6-18-4-10/h2-7,9H,8H2,1H3

InChIKey

ZBIBQGWYPMWCPN-UHFFFAOYSA-N

Smiles

C([C@@H](C)OC(=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.