Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Piperazine, 1-(3-fluoro-6,11-dihydro dibenz(b,e)oxepin-11-yl)-4-(3-phenyl-2-propenyl)-, (E)-, (Z)-2-butenedionate, hydrate (2:3:2)
RN: 114312-23-1
InChIKey: XLZOJJZORMFVTB-KIMHRGPHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C54-H52-F2-N4-O2.3C4-H4-O4.2H2-O

Molecular Weight

  • 1177.2574
 
* 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

  • 11-(4-Cinnamyl-1-piperazinyl)-3-fluoro-6,11-dihydrodibenz(b,e)oxepin hydrate maleate (2:2:3)

Systematic Name

  • Piperazine, 1-(3-fluoro-6,11-dihydro dibenz(b,e)oxepin-11-yl)-4-(3-phenyl-2-propenyl)-, (E)-, (Z)-2-butenedionate, hydrate (2:3:2)

Registry Numbers

CAS Registry Number

  • 114312-23-1

System Generated Number

  • 0114312231

Molecular Formulas

Molecular Formula

  • C54-H52-F2-N4-O2.3C4-H4-O4.2H2-O

Molecular Formula Fragments

  • C4-H4-O4
  • C54-H52-F2-N4-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C27H27FN2O.3C4H4O4/c2*28-23-12-13-25-26(19-23)31-20-22-10-4-5-11-24(22)27(25)30-17-15-29(16-18-30)14-6-9-21-7-2-1-3-8-21;3*5-3(6)1-2-4(7)8/h2*1-13,19,27H,14-18,20H2;3*1-2H,(H,5,6)(H,7,8)/b2*9-6+;3*2-1+

InChIKey

XLZOJJZORMFVTB-KIMHRGPHSA-N

Smiles

c1ccc(cc1)/C=C/CN2CCN(CC2)C3c4c(cc(cc4)F)OCc5c3cccc5.c1ccc(cc1)/C=C/CN2CCN(CC2)C3c4c(cc(cc4)F)OCc5c3cccc5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4889858,