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Substance Name: Acetic acid, phenoxy-, alpha-(2-(dimethylamino)ethyl)-alpha-ethylbenzyl ester, hydrochloride
RN: 13087-54-2
InChIKey: VPYDCEPWYIFMMX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N-O3.Cl-H

Molecular Weight

  • 377.909
 
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Names and Synonyms

Synonym

  • Phenoxyacetic acid alpha-(2-(dimethylamino)ethyl)-alpha-ethylbenzyl ester hydrochloride

Systematic Name

  • Acetic acid, phenoxy-, alpha-(2-(dimethylamino)ethyl)-alpha-ethylbenzyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 13087-54-2

System Generated Number

  • 0013087542

Molecular Formulas

Molecular Formula

  • C21-H27-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H27-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27NO3.ClH/c1-4-21(15-16-22(2)3,18-11-7-5-8-12-18)25-20(23)17-24-19-13-9-6-10-14-19;/h5-14H,4,15-17H2,1-3H3;1H

InChIKey

VPYDCEPWYIFMMX-UHFFFAOYSA-N

Smiles

c1([C@@](OC(COc2ccccc2)=O)(CC[NH+](C)C)CC)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 13200ug/kg (13.2mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE WEAKNESS
Farmakologiya i Toksikologiya Vol. 24, Pg. 706, 1961.