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Substance Name: Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-(2-(1,3-dioxolan-2-yl)ethyl)-, (Z)-2-butenedioate (1:1)
RN: 39889-99-1
InChIKey: ZSQWMPLVTMLDGB-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-N2-O2-S2.C4-H4-O4

Molecular Weight

  • 558.7166
 
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Names and Synonyms

  • Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-(2-(1,3-dioxolan-2-yl)ethyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 39889-99-1

System Generated Number

  • 0039889991

Molecular Formulas

Molecular Formula

  • C24-H30-N2-O2-S2.C4-H4-O4

Molecular Formula Fragments

  • C24-H30-N2-O2-S2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H30N2O2S2.C4H4O4/c1-29-19-6-7-23-20(17-19)21(16-18-4-2-3-5-22(18)30-23)26-12-10-25(11-13-26)9-8-24-27-14-15-28-24;5-3(6)1-2-4(7)8/h2-7,17,21,24H,8-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ZSQWMPLVTMLDGB-WLHGVMLRSA-N

Smiles

CSc1ccc2c(c1)C(Cc3ccccc3S2)N4CCN(CC4)CCC5OCCO5.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 54300ug/kg (54.3mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 3153, 1974.