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Substance Name: 3-Pyridinecarboxylic acid, 6-(4-((4-chlorophenyl)methoxy)phenyl)hexyl ester
RN: 83123-66-4
InChIKey: TUPVCDRBWRUKLT-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

  • 6-(4-(4-Chlorobenzyloxy)phenyl)hexyl nicotinate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 83123-66-4

System Generated Number

  • 0083123664

Structure Descriptors

InChI

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

InChIKey

TUPVCDRBWRUKLT-UHFFFAOYSA-N

Smiles

c1cc(cnc1)C(=O)OCCCCCCc2ccc(cc2)OCc3ccc(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,