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Substance Name: Benzoic acid, 4-(2-(((3-methylphenyl)(2-(1-piperidinyl)phenyl)methyl)amino)-2-oxoethyl)-
RN: 89573-01-3
InChIKey: XZGWQUCHZYGSHG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H30-N2-O3

Molecular Weight

  • 442.556
 
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Names and Synonyms

Synonyms

  • 4-((alpha-(3-Methylphenyl)-2-piperidinobenzyl)aminocarbonylmethyl)benzoic acid
  • 4-(2-(((3-Methylphenyl)(2-(1-piperidinyl)phenyl)methyl)amino)-2-oxoethyl)benzoic acid

Systematic Name

  • Benzoic acid, 4-(2-(((3-methylphenyl)(2-(1-piperidinyl)phenyl)methyl)amino)-2-oxoethyl)-

Registry Numbers

CAS Registry Number

  • 89573-01-3

System Generated Number

  • 0089573013

Structure Descriptors

InChI

1S/C28H30N2O3/c1-20-8-7-9-23(18-20)27(24-10-3-4-11-25(24)30-16-5-2-6-17-30)29-26(31)19-21-12-14-22(15-13-21)28(32)33/h3-4,7-15,18,27H,2,5-6,16-17,19H2,1H3,(H,29,31)(H,32,33)

InChIKey

XZGWQUCHZYGSHG-UHFFFAOYSA-N

Smiles

Cc1cccc(c1)C(c2ccccc2N3CCCCC3)NC(=O)Cc4ccc(cc4)C(=O)O

Toxicity

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