Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: beta-Alanine, N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, 2-piperidinoethyl ester, dihydrochloride
RN: 18188-86-8
InChIKey: LFGQBPSJKIEDBO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H24-N2-O3.2Cl-H

Molecular Weight

  • 377.309
 
* 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

Synonym

  • N-(7-Oxo-1,3,5-cycloheptatrien-1-yl)-beta-alanine 2-piperidinoethyl ester dihydrochloride

Systematic Name

  • beta-Alanine, N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, 2-piperidinoethyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 18188-86-8

System Generated Number

  • 0018188868

Molecular Formulas

Molecular Formula

  • C17-H24-N2-O3.2Cl-H

Molecular Formula Fragments

  • C17-H24-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H24N2O3.2ClH/c20-16-8-4-1-3-7-15(16)18-10-9-17(21)22-14-13-19-11-5-2-6-12-19;;/h1,3-4,7-8H,2,5-6,9-14H2,(H,18,20);2*1H

InChIKey

LFGQBPSJKIEDBO-UHFFFAOYSA-N

Smiles

c1(c(ccccc1)=O)[NH+]CCC(OCC[NH+]1CCCCC1)=O.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Medicinal Chemistry. Vol. 10, Pg. 1144, 1967.