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Substance Name: Acetic acid, phenoxy-, 1-(2-(4-morpholinyl)ethyl)-1-phenyl-3-butynyl ester, hydrochloride
RN: 54137-36-9
InChIKey: PQKDMYUFSYNPFG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H27-N-O4.Cl-H

Molecular Weight

  • 429.941
 
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Names and Synonyms

Synonym

  • Phenoxyacetic acid 1-(2-(4-morpholinyl)ethyl)-1-phenyl-3-butynyl ester hydrochloride

Systematic Name

  • Acetic acid, phenoxy-, 1-(2-(4-morpholinyl)ethyl)-1-phenyl-3-butynyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 54137-36-9

System Generated Number

  • 0054137369

Molecular Formulas

Molecular Formula

  • C24-H27-N-O4.Cl-H

Molecular Formula Fragments

  • C24-H27-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H27NO4.ClH/c1-2-13-24(21-9-5-3-6-10-21,14-15-25-16-18-27-19-17-25)29-23(26)20-28-22-11-7-4-8-12-22;/h1,3-12H,13-20H2;1H

InChIKey

PQKDMYUFSYNPFG-UHFFFAOYSA-N

Smiles

c1([C@@](CC[NH+]2CCOCC2)(OC(COc2ccccc2)=O)CC#C)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 620mg/kg (620mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 318, 1974.