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Substance Name: 3-Pyridinecarboxylic acid, (4-((6-(4-chlorophenyl)hexyl)oxy)phenyl)methyl ester
RN: 83123-72-2
InChIKey: OQDGAFSTKXLAAG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H26-Cl-N-O3

Molecular Weight

  • 423.9374
 
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Names and Synonyms

Synonym

  • 4-(6-(4-Chlorophenyl)hexyloxy)benzyl nicotinate

Systematic Name

  • 3-Pyridinecarboxylic acid, (4-((6-(4-chlorophenyl)hexyl)oxy)phenyl)methyl ester

Registry Numbers

CAS Registry Number

  • 83123-72-2

System Generated Number

  • 0083123722

Structure Descriptors

InChI

1S/C25H26ClNO3/c26-23-12-8-20(9-13-23)6-3-1-2-4-17-29-24-14-10-21(11-15-24)19-30-25(28)22-7-5-16-27-18-22/h5,7-16,18H,1-4,6,17,19H2

InChIKey

OQDGAFSTKXLAAG-UHFFFAOYSA-N

Smiles

c1cc(cnc1)C(=O)OCc2ccc(cc2)OCCCCCCc3ccc(cc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   British UK Patent Application. Vol. #2093019,