Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Piperazine, 1-(3-(2,4-dimethoxyphenyl)-2-propenyl)-4-(diphenylmethyl)-, (E)-2-butenedioate (1:1)
RN: 104690-93-9
InChIKey: YQSOIGHEUYMEFI-MWWUGWBXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H32-N2-O2.C4-H4-O4

Molecular Weight

  • 544.6444
 
* 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

  • 1-Benzhydryl-4-(2,4-dimethoxycinnamyl)piperazine fumarate

Systematic Name

  • Piperazine, 1-(3-(2,4-dimethoxyphenyl)-2-propenyl)-4-(diphenylmethyl)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 104690-93-9

System Generated Number

  • 0104690939

Molecular Formulas

Molecular Formula

  • C28-H32-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C28-H32-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C28H32N2O2.C4H4O4/c1-31-26-16-15-23(27(22-26)32-2)14-9-17-29-18-20-30(21-19-29)28(24-10-5-3-6-11-24)25-12-7-4-8-13-25;5-3(6)1-2-4(7)8/h3-16,22,28H,17-21H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b14-9+;2-1+

InChIKey

YQSOIGHEUYMEFI-MWWUGWBXSA-N

Smiles

COc1ccc(c(c1)OC)/C=C/CN2CCN(CC2)C(c3ccccc3)c4ccccc4.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 773mg/kg (773mg/kg)   European Patent Application. Vol. #0187639,