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Substance Name: Benzoic acid, 4-(2-oxo-2-(((2-(1-piperidinyl)phenyl)-2-pyridinylmethyl)amino)ethyl)-
RN: 89573-13-7
InChIKey: BIHVQQCVIUUZEN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H27-N3-O3

Molecular Weight

  • 429.5173
 
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Names and Synonyms

Synonyms

  • 4-((2-Piperidino-alpha-(2-pyridyl)benzyl)aminocarbonylmethyl)benzoic acid
  • 4-(2-Oxo-2-(((2-(1-piperidinyl)phenyl)-2-pyridinylmethyl)amino)ethyl)benzoic acid

Systematic Name

  • Benzoic acid, 4-(2-oxo-2-(((2-(1-piperidinyl)phenyl)-2-pyridinylmethyl)amino)ethyl)-

Registry Numbers

CAS Registry Number

  • 89573-13-7

System Generated Number

  • 0089573137

Structure Descriptors

InChI

1S/C26H27N3O3/c30-24(18-19-11-13-20(14-12-19)26(31)32)28-25(22-9-4-5-15-27-22)21-8-2-3-10-23(21)29-16-6-1-7-17-29/h2-5,8-15,25H,1,6-7,16-18H2,(H,28,30)(H,31,32)

InChIKey

BIHVQQCVIUUZEN-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C(c2ccccn2)NC(=O)Cc3ccc(cc3)C(=O)O)N4CCCCC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4735959,