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Substance Name: 3-Pyridinecarboxylic acid, 5-fluoro-, 2-butene-1,4-diyl ester
RN: 37744-21-1
InChIKey: RSPXMXIMKISAIY-OWOJBTEDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-F2-N2-O4

Molecular Weight

  • 334.2768
 
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Names and Synonyms

Synonyms

  • 2-Butene-1,4-diol, bis(5-fluoronicotinate)
  • 2-Butene-1,4-diyl 5-fluoro-3-pyridinecarboxylate

Systematic Name

  • 3-Pyridinecarboxylic acid, 5-fluoro-, 2-butene-1,4-diyl ester

Registry Numbers

CAS Registry Number

  • 37744-21-1

System Generated Number

  • 0037744211

Structure Descriptors

InChI

1S/C16H12F2N2O4/c17-13-5-11(7-19-9-13)15(21)23-3-1-2-4-24-16(22)12-6-14(18)10-20-8-12/h1-2,5-10H,3-4H2/b2-1+

InChIKey

RSPXMXIMKISAIY-OWOJBTEDSA-N

Smiles

c1c(cncc1F)C(=O)OC/C=C/COC(=O)c2cc(cnc2)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.