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Substance Name: Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)
RN: 34775-79-6
InChIKey: RXPQYZHPWHBGQV-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N2-S2.C4-H4-O4

Molecular Weight

  • 458.6
 
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Names and Synonyms

Synonym

  • 1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)piperazine maleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 34775-79-6

System Generated Number

  • 0034775796

Molecular Formulas

Molecular Formula

  • C19-H22-N2-S2.C4-H4-O4

Molecular Formula Fragments

  • C19-H22-N2-S2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H22N2S2.C4H4O4/c1-22-15-6-7-19-16(13-15)17(21-10-8-20-9-11-21)12-14-4-2-3-5-18(14)23-19;5-3(6)1-2-4(7)8/h2-7,13,17,20H,8-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

RXPQYZHPWHBGQV-WLHGVMLRSA-N

Smiles

C(\C=C\C(O)=O)(=O)O.N1(CCNCC1)[C@@H]1Cc2c(Sc3c1cc(cc3)SC)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 91mg/kg (91mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 2226, 1971.