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Substance Name: Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(3-fluorophenyl)ethyl)phenoxy)methyl)ethyl) ester, hydrochloride
RN: 86819-21-8
InChIKey: DBBHFAJJKSSLJW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-F-N-O5.Cl-H

Molecular Weight

  • 453.9351
 
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Names and Synonyms

  • Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(3-fluorophenyl)ethyl)phenoxy)methyl)ethyl) ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 86819-21-8

System Generated Number

  • 0086819218

Molecular Formulas

Molecular Formula

  • C23-H28-F-N-O5.Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C23H28FNO5.ClH/c1-25(2)15-20(30-23(28)13-12-22(26)27)16-29-21-9-4-3-7-18(21)11-10-17-6-5-8-19(24)14-17;/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,26,27);1H

InChIKey

DBBHFAJJKSSLJW-UHFFFAOYSA-N

Smiles

CN(C)CC(COc1ccccc1CCc2cccc(c2)F)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,