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Substance Name: Nicotinic acid, 5-fluoro-, butyl ester (8CI)
RN: 23723-23-1
InChIKey: ZQNIMWGAXXYCBH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H12-F-N-O2

Molecular Weight

  • 197.208
 
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Names and Synonyms

Synonyms

  • 5-22-02-00173 (Beilstein Handbook Reference)
  • BRN 0474653
  • Butyl 5-fluoro-3-pyridinecarboxylate
  • Butyl 5-fluoronicotinate

Systematic Names

  • 3-Pyridinecarboxylic acid, 5-fluoro-, butyl ester
  • Nicotinic acid, 5-fluoro-, butyl ester (8CI)

Registry Numbers

CAS Registry Number

  • 23723-23-1

System Generated Number

  • 0023723231

Structure Descriptors

InChI

1S/C10H12FNO2/c1-2-3-4-14-10(13)8-5-9(11)7-12-6-8/h5-7H,2-4H2,1H3

InChIKey

ZQNIMWGAXXYCBH-UHFFFAOYSA-N

Smiles

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

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.