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Substance Name: Piperazine, 1-(2-(11H-dibenzo(b,e)(1,4)dioxepin-11-yl)ethyl)-4-methyl-, (+-)-, (E)-2-butenedioate (1:2)
RN: 81320-31-2
InChIKey: FXDMSNMLFJHPPJ-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-O2.2C4-H4-O4

Molecular Weight

  • 556.5648
 
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Names and Synonyms

Synonyms

  • 4-Methyl 2-(dibenzo(b,e) 1,4-dioxepin-11-yl)ethyl 1-piperazine difumarate
  • 4-Methyl 2-(dibenzo(b,e) 1,4-dioxepin-11-yl)ethyl 1-piperazine difumarate [French]

Systematic Name

  • Piperazine, 1-(2-(11H-dibenzo(b,e)(1,4)dioxepin-11-yl)ethyl)-4-methyl-, (+-)-, (E)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 81320-31-2

System Generated Number

  • 0081320312

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.2C4-H4-O4

Molecular Formula Fragments

  • C20-H24-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2O2.2C4H4O4/c1-21-12-14-22(15-13-21)11-10-18-16-6-2-3-7-17(16)23-19-8-4-5-9-20(19)24-18;2*5-3(6)1-2-4(7)8/h2-9,18H,10-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

FXDMSNMLFJHPPJ-LVEZLNDCSA-N

Smiles

CN1CCN(CC1)CCC2Oc3c(cccc3)Oc4c2cccc4.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 LD50 intraperitoneal 80mg/kg (80mg/kg)   French Demande Patent Document. Vol. #2480283,
mouse LD50 oral 250mg/kg (250mg/kg)   French Demande Patent Document. Vol. #2480283,