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Substance Name: Butanedioic acid, mono(1-((dimethylamino)methyl)-2-(2-(2-phenylethyl)phenoxy)ethyl) ester, hydrochloride
RN: 86819-18-3
InChIKey: SZBBUXRSCZMYFM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O5.Cl-H

Molecular Weight

  • 435.945
 
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Names and Synonyms

Synonyms

  • 2-((3-Dimethylamino-2-(3-carboxypropionyloxy))propoxy)bibenzyl hydrochloride
  • Mono(2-(dimethylamino)-1-((2-(2-phenylethyl)phenoxy)methyl)ethyl)succinate hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 86819-18-3

System Generated Number

  • 0086819183

Molecular Formulas

Molecular Formula

  • C23-H29-N-O5.Cl-H

Molecular Formula Fragments

  • C23-H29-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29NO5.ClH/c1-24(2)16-20(29-23(27)15-14-22(25)26)17-28-21-11-7-6-10-19(21)13-12-18-8-4-3-5-9-18;/h3-11,20H,12-17H2,1-2H3,(H,25,26);1H

InChIKey

SZBBUXRSCZMYFM-UHFFFAOYSA-N

Smiles

CN(C)CC(COc1ccccc1CCc2ccccc2)OC(=O)CCC(=O)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 580mg/kg (580mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 1818, 1990.
mouse LD50 oral 2gm/kg (2000mg/kg)   European Patent Application. Vol. #0072942,