Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 4-(2-(((2-fluorophenyl)(2-(1-piperidinyl)phenyl)methyl)amino)-2-oxoethyl)-
RN: 89573-06-8
InChIKey: JYUWCCUOLWYVBI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H27-F-N2-O3

Molecular Weight

  • 446.5193
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 4-((alpha-(2-Fluorophenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid
  • 4-(2-(((2-Fluorophenyl)(2-(1-piperidinyl)phenyl)methyl)amino)-2-oxoethyl)benzoic acid

Systematic Name

  • Benzoic acid, 4-(2-(((2-fluorophenyl)(2-(1-piperidinyl)phenyl)methyl)amino)-2-oxoethyl)-

Registry Numbers

CAS Registry Number

  • 89573-06-8

System Generated Number

  • 0089573068

Structure Descriptors

InChI

1S/C27H27FN2O3/c28-23-10-4-2-8-21(23)26(22-9-3-5-11-24(22)30-16-6-1-7-17-30)29-25(31)18-19-12-14-20(15-13-19)27(32)33/h2-5,8-15,26H,1,6-7,16-18H2,(H,29,31)(H,32,33)

InChIKey

JYUWCCUOLWYVBI-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C(c2ccccc2F)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,