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Substance Name: 3-Buten-2-one, 3-(2-(3-(diethylamino)propoxy)phenoxy)-4-phenyl-, hydrochloride, (Z)-
RN: 106064-08-8
InChIKey: ZJKVIJMHYSNYNX-XTMYEIJHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O3.Cl-H

Molecular Weight

  • 403.947
 
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Names and Synonyms

Synonym

  • (Z)-3-(2-(3-(Diethylamino)propoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride

Systematic Name

  • 3-Buten-2-one, 3-(2-(3-(diethylamino)propoxy)phenoxy)-4-phenyl-, hydrochloride, (Z)-

Registry Numbers

CAS Registry Number

  • 106064-08-8

System Generated Number

  • 0106064088

Molecular Formulas

Molecular Formula

  • C23-H29-N-O3.Cl-H

Molecular Formula Fragments

  • C23-H29-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29NO3.ClH/c1-4-24(5-2)16-11-17-26-21-14-9-10-15-22(21)27-23(19(3)25)18-20-12-7-6-8-13-20;/h6-10,12-15,18H,4-5,11,16-17H2,1-3H3;1H/b23-18-;

InChIKey

ZJKVIJMHYSNYNX-XTMYEIJHSA-N

Smiles

c1(c(cccc1)OCCC[NH+](CC)CC)O\C(=C/c1ccccc1)C(C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 95mg/kg (95mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.
rat LD50 intravenous 11100ug/kg (11.1mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.