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Substance Name: 3-Buten-2-one, 3-(2-(2-morpholinoethoxy)phenoxy)-4-phenyl-, hydrochloride, (Z)-
RN: 106064-05-5
InChIKey: WBSCTDGLLCUQTK-JJECXDOKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N-O4.Cl-H

Molecular Weight

  • 403.903
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 106064-05-5

System Generated Number

  • 0106064055

Molecular Formulas

Molecular Formula

  • C22-H25-N-O4.Cl-H

Molecular Formula Fragments

  • C22-H25-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25NO4.ClH/c1-18(24)22(17-19-7-3-2-4-8-19)27-21-10-6-5-9-20(21)26-16-13-23-11-14-25-15-12-23;/h2-10,17H,11-16H2,1H3;1H/b22-17-;

InChIKey

WBSCTDGLLCUQTK-JJECXDOKSA-N

Smiles

c1(c(OCC[NH+]2CCOCC2)cccc1)O\C(=C/c1ccccc1)C(C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.
rat LD50 intravenous 30mg/kg (30mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.