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Substance Name: 1,2-Cyclobutanedicarboxylic acid, mono(1-((dimethylamino)methyl)-2-(2-(2- phenylethyl)phenoxy)ethyl) ester, hydrochloride
RN: 86819-25-2
InChIKey: GNVZSCOMGDIQMK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N-O5.Cl-H

Molecular Weight

  • 461.9828
 
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Names and Synonyms

Synonym

  • 2-((3-Dimethylamino-2-(2-carboxycyclobutylcarbonyloxy))propoxy)bibenzyl hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 86819-25-2

System Generated Number

  • 0086819252

Molecular Formulas

Molecular Formula

  • C25-H31-N-O5.Cl-H

Molecular Formula Fragments

  • C25-H31-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H31NO5.ClH/c1-26(2)16-20(31-25(29)22-15-14-21(22)24(27)28)17-30-23-11-7-6-10-19(23)13-12-18-8-4-3-5-9-18;/h3-11,20-22H,12-17H2,1-2H3,(H,27,28);1H

InChIKey

GNVZSCOMGDIQMK-UHFFFAOYSA-N

Smiles

CN(C)CC(COc1ccccc1CCc2ccccc2)OC(=O)C3CCC3C(=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,