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Substance Name: Piperazine, 1-(2-((2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2)
RN: 96122-36-0
InChIKey: ZKSGBNQSDRTERE-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Cl-N2-O-S.2C4-H4-O4

Molecular Weight

  • 607.0769
 
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Names and Synonyms

Synonyms

  • 1-(2-((2-Chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)piperazine dimaleate
  • 2-Chloro-11-(2-piperazinoethoxy)-6,11-dihydrodibenzo(b,e)thiepin bis(hydrogen maleate)

Systematic Name

  • Piperazine, 1-(2-((2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 96122-36-0

System Generated Number

  • 0096122360

Molecular Formulas

Molecular Formula

  • C20-H23-Cl-N2-O-S.2C4-H4-O4

Molecular Formula Fragments

  • C20-H23-Cl-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23ClN2OS.2C4H4O4/c21-16-5-6-19-18(13-16)20(17-4-2-1-3-15(17)14-25-19)24-12-11-23-9-7-22-8-10-23;2*5-3(6)1-2-4(7)8/h1-6,13,20,22H,7-12,14H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

ZKSGBNQSDRTERE-SPIKMXEPSA-N

Smiles

C(=O)(/C=C\C(=O)O)O.N1(CCNCC1)CCOC1c2c(SCc3c1cccc3)ccc(c2)Cl.C(=O)(/C=C\C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 65mg/kg (65mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Collection of Czechoslovak Chemical Communications. Vol. 49, Pg. 2520, 1984.