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Substance Name: 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester
RN: 83123-56-2
InChIKey: REBJCOMBOIHEGC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H22-Cl-N-O3

Molecular Weight

  • 395.8838
 
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Names and Synonyms

Synonym

  • 4-(4-(4-Chlorophenyl)butoxy)benzyl nicotinate

Systematic Name

  • 3-Pyridinecarboxylic acid, (4-(4-(4-chlorophenyl)butoxy)phenyl)methyl ester

Registry Numbers

CAS Registry Number

  • 83123-56-2

System Generated Number

  • 0083123562

Structure Descriptors

InChI

1S/C23H22ClNO3/c24-21-10-6-18(7-11-21)4-1-2-15-27-22-12-8-19(9-13-22)17-28-23(26)20-5-3-14-25-16-20/h3,5-14,16H,1-2,4,15,17H2

InChIKey

REBJCOMBOIHEGC-UHFFFAOYSA-N

Smiles

c1cc(cnc1)C(=O)OCc2ccc(cc2)OCCCCc3ccc(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,