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Substance Name: Octadecanoic acid, (5-fluoro-3-pyridinyl)methyl ester
RN: 37744-27-7
InChIKey: NDJPLQIPBRPDNK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H40-F-N-O2

Molecular Weight

  • 393.583
 
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Names and Synonyms

Synonyms

  • (5-Fluoro-3-pyridinyl)methyl octadecanoate
  • 5-21-02-00181 (Beilstein Handbook Reference)
  • BRN 1498704

Systematic Name

  • Octadecanoic acid, (5-fluoro-3-pyridinyl)methyl ester

Registry Numbers

CAS Registry Number

  • 37744-27-7

System Generated Number

  • 0037744277

Structure Descriptors

InChI

1S/C24H40FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)28-21-22-18-23(25)20-26-19-22/h18-20H,2-17,21H2,1H3

InChIKey

NDJPLQIPBRPDNK-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)OCc1cc(cnc1)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.