Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Butanedioic acid, mono(2-(4-chloro-2-(2-phenylethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride
RN: 86819-23-0
InChIKey: KLAUUQLACGQSDE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-Cl-N-O5.Cl-H

Molecular Weight

  • 470.3901
 
* 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

  • Butanedioic acid, mono(2-(4-chloro-2-(2-phenylethyl)phenoxy)-1-((dimethylamino)methyl)ethyl) ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 86819-23-0

System Generated Number

  • 0086819230

Molecular Formulas

Molecular Formula

  • C23-H28-Cl-N-O5.Cl-H

Molecular Formula Fragments

  • C23-H28-Cl-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28ClNO5.ClH/c1-25(2)15-20(30-23(28)13-12-22(26)27)16-29-21-11-10-19(24)14-18(21)9-8-17-6-4-3-5-7-17;/h3-7,10-11,14,20H,8-9,12-13,15-16H2,1-2H3,(H,26,27);1H

InChIKey

KLAUUQLACGQSDE-UHFFFAOYSA-N

Smiles

CN(C)CC(COc1ccc(cc1CCc2ccccc2)Cl)OC(=O)CCC(=O)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   European Patent Application. Vol. #0072942,