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Substance Name: 2-Propen-1-one, 2-(2-(2-(diethylamino)ethoxy)phenoxy)-1,3-diphenyl-, hydrochloride
RN: 57150-81-9
InChIKey: BIIMASYENMZTLL-AURQPEIRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H29-N-O3.Cl-H

Molecular Weight

  • 451.991
 
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Names and Synonyms

Synonyms

  • 2-(2-(2-(Diethylamino)ethoxy)phenoxy)-1,3-diphenyl-2-propen-1-one hydrochloride
  • Chalcone, alpha-(2-(2-(diethylamino)ethoxy)phenoxy)-, hydrochloride

Systematic Name

  • 2-Propen-1-one, 2-(2-(2-(diethylamino)ethoxy)phenoxy)-1,3-diphenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 57150-81-9

System Generated Number

  • 0057150819

Molecular Formulas

Molecular Formula

  • C27-H29-N-O3.Cl-H

Molecular Formula Fragments

  • C27-H29-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H29NO3.ClH/c1-3-28(4-2)19-20-30-24-17-11-12-18-25(24)31-26(21-22-13-7-5-8-14-22)27(29)23-15-9-6-10-16-23;/h5-18,21H,3-4,19-20H2,1-2H3;1H/b26-21-;

InChIKey

BIIMASYENMZTLL-AURQPEIRSA-N

Smiles

CCN(CC)CCOc1ccccc1O/C(=C\c2ccccc2)/C(=O)c3ccccc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.