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Substance Name: Acetic acid, (1-((dimethylamino)methyl)-2-(2-(2-phenylethyl)phenoxy)ethoxy)-, hydrochloride
RN: 86819-26-3
InChIKey: BIQRWXBUPGFIAR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N-O4.Cl-H

Molecular Weight

  • 393.9082
 
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Names and Synonyms

Synonyms

  • (1-((Dimethylamino)methyl)-2-(2-(2-phenylethyl)phenoxy)ethoxy)acetic acid hydrochloride
  • 2-((3-Dimethylamino-2-carboxymethoxy)propoxy)bibenzyl hydrochloride

Systematic Name

  • Acetic acid, (1-((dimethylamino)methyl)-2-(2-(2-phenylethyl)phenoxy)ethoxy)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 86819-26-3

System Generated Number

  • 0086819263

Molecular Formulas

Molecular Formula

  • C21-H27-N-O4.Cl-H

Molecular Formula Fragments

  • C21-H27-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27NO4.ClH/c1-22(2)14-19(25-16-21(23)24)15-26-20-11-7-6-10-18(20)13-12-17-8-4-3-5-9-17;/h3-11,19H,12-16H2,1-2H3,(H,23,24);1H

InChIKey

BIQRWXBUPGFIAR-UHFFFAOYSA-N

Smiles

CN(C)CC(COc1ccccc1CCc2ccccc2)OCC(=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,