Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isonipecotic acid, 1-(2-anilinoethyl)-4-phenyl-, ethyl ester
RN: 13830-05-2
InChIKey: YJESBDXQZRYQFI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O2

Molecular Weight

  • 352.475
 
* 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

  • 4-22-00-01034 (Beilstein Handbook Reference)
  • 4-Phenyl-1-(2-(phenylamino)ethyl)-4-piperidinecarboxylic acid ethyl ester
  • BRN 0327208
  • Ethyl 4-phenyl-1-(2-(phenylamino)ethyl)piperidine-4-carboxylate
  • WIN 13,797

Systematic Names

  • 4-Piperidinecarboxylic acid, 4-phenyl-1-(2-(phenylamino)ethyl)-, ethyl ester
  • Isonipecotic acid, 1-(2-anilinoethyl)-4-phenyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 13830-05-2

System Generated Number

  • 0013830052

Structure Descriptors

InChI

1S/C22H28N2O2/c1-2-26-21(25)22(19-9-5-3-6-10-19)13-16-24(17-14-22)18-15-23-20-11-7-4-8-12-20/h3-12,23H,2,13-18H2,1H3

InChIKey

YJESBDXQZRYQFI-UHFFFAOYSA-N

Smiles

N1(CCC(CC1)(C(=O)OCC)c1ccccc1)CCNc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 39mg/kg (39mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicology and Applied Pharmacology. Vol. 3, Pg. 358, 1961.
mouse LD50 subcutaneous 175mg/kg (175mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toxicology and Applied Pharmacology. Vol. 3, Pg. 358, 1961.