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Substance Name: 3-Pyridinecarboxylic acid, 5-fluoro-, 2,2',2''-nitrilotri-2,1-ethanediyl ester
RN: 23587-01-1
InChIKey: UHYSECYXNUVJBK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H21-F3-N4-O6

Molecular Weight

  • 518.446
 
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Names and Synonyms

Synonyms

  • 2,2',2''-Nitrilotri-2,1-ethanediyl 5-fluoro-3-pyridinecarboxylate
  • 5-22-02-00173 (Beilstein Handbook Reference)
  • BRN 0505101
  • Ethanol, 2-nitrilotris-, tri(5-fluoronicotinate)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 23587-01-1

System Generated Number

  • 0023587011

Structure Descriptors

InChI

1S/C24H21F3N4O6/c25-19-7-16(10-28-13-19)22(32)35-4-1-31(2-5-36-23(33)17-8-20(26)14-29-11-17)3-6-37-24(34)18-9-21(27)15-30-12-18/h7-15H,1-6H2

InChIKey

UHYSECYXNUVJBK-UHFFFAOYSA-N

Smiles

N(CCOC(=O)c1cncc(c1)F)(CCOC(=O)c1cncc(c1)F)CCOC(=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.