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Substance Name: 3-Pyridinecarboxylic acid, (4-(3-(4-chlorophenyl)propoxy)phenyl)methyl ester
RN: 83123-54-0
InChIKey: MOIYZHBMXFFZNB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H20-Cl-N-O3

Molecular Weight

  • 381.857
 
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Names and Synonyms

Synonym

  • 4-(3-(4-Chlorophenyl)propoxy)benzyl nicotinate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 83123-54-0

System Generated Number

  • 0083123540

Structure Descriptors

InChI

1S/C22H20ClNO3/c23-20-9-5-17(6-10-20)3-2-14-26-21-11-7-18(8-12-21)16-27-22(25)19-4-1-13-24-15-19/h1,4-13,15H,2-3,14,16H2

InChIKey

MOIYZHBMXFFZNB-UHFFFAOYSA-N

Smiles

c1cc(cnc1)C(=O)OCc2ccc(cc2)OCCCc3ccc(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,