Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Buten-2-one, 3-(2-(3-(4-methyl-1-piperazinyl)propoxy)phenoxy)-4-phenyl-, maleate (1:2), (Z)-
RN: 106064-10-2
InChIKey: MLHRFRWOUCPXFR-HXGLLMOZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-N2-O3.2C4-H4-O4

Molecular Weight

  • 626.655
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • (Z)-3-(2-(3-(4-Methyl-1-piperazinyl)propoxy)phenoxy)-4-phenyl-3-buten-2-one maleate (1:2)

Systematic Name

  • 3-Buten-2-one, 3-(2-(3-(4-methyl-1-piperazinyl)propoxy)phenoxy)-4-phenyl-, maleate (1:2), (Z)-

Registry Numbers

CAS Registry Number

  • 106064-10-2

System Generated Number

  • 0106064102

Molecular Formulas

Molecular Formula

  • C24-H30-N2-O3.2C4-H4-O4

Molecular Formula Fragments

  • C24-H30-N2-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H30N2O3.2C4H4O4/c1-20(27)24(19-21-9-4-3-5-10-21)29-23-12-7-6-11-22(23)28-18-8-13-26-16-14-25(2)15-17-26;2*5-3(6)1-2-4(7)8/h3-7,9-12,19H,8,13-18H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b24-19-;2*2-1-

InChIKey

MLHRFRWOUCPXFR-HXGLLMOZSA-N

Smiles

C(\Oc1c(OCCCN2CCN(CC2)C)cccc1)(=C/c1ccccc1)C(=O)C.C(\C=C/C(=O)O)(O)=O.C(\C=C/C(=O)O)(O)=O

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.
rat LD50 intravenous 23900ug/kg (23.9mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 773, 1987.