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Substance Name: Acrylic acid, 3,3-diphenyl-, 2'-(diethylamino)ethyl ester, hydrochloride
RN: 5449-57-0
InChIKey: BEHAYNJEBLPIAF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N-O2.Cl-H

Molecular Weight

  • 359.894
 
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Names and Synonyms

Synonyms

  • 3,3-Diphenylacrylic acid 2-(diethylamino)ethyl ester hydrochloride
  • NSC 16341

Systematic Names

  • 2-Propenoic acid, 3,3-diphenyl-, 2-(diethylamino)ethyl ester, hydrochloride (9CI)
  • Acrylic acid, 3,3-diphenyl-, 2'-(diethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 5449-57-0

System Generated Number

  • 0005449570

Molecular Formulas

Molecular Formula

  • C21-H25-N-O2.Cl-H

Molecular Formula Fragments

  • C21-H25-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25NO2.ClH/c1-3-22(4-2)15-16-24-21(23)17-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19;/h5-14,17H,3-4,15-16H2,1-2H3;1H

InChIKey

BEHAYNJEBLPIAF-UHFFFAOYSA-N

Smiles

C(\c1ccccc1)(c1ccccc1)=C/C(OCC[NH+](CC)CC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 74, Pg. 274, 1942.