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Substance Name: Nicotinic acid, 5-fluoro-, allyl ester (8CI)
RN: 23723-22-0
InChIKey: NPXGQTITDQSREJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H8-F-N-O2

Molecular Weight

  • 181.165
 
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Names and Synonyms

Synonyms

  • 2-Propenyl 5-fluoro-3-pyridinecarboxylate
  • 5-22-02-00173 (Beilstein Handbook Reference)
  • Allyl 5-fluoronicotinate
  • BRN 0474786

Systematic Names

  • 3-Pyridinecarboxylic acid, 5-fluoro-, 2-propenyl ester
  • Nicotinic acid, 5-fluoro-, allyl ester (8CI)

Registry Numbers

CAS Registry Number

  • 23723-22-0

System Generated Number

  • 0023723220

Structure Descriptors

InChI

1S/C9H8FNO2/c1-2-3-13-9(12)7-4-8(10)6-11-5-7/h2,4-6H,1,3H2

InChIKey

NPXGQTITDQSREJ-UHFFFAOYSA-N

Smiles

c1c(cc(cn1)F)C(=O)OCC=C

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.