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Substance Name: Piperazine, 1-(8-chloro-3-fluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)
RN: 56097-15-5
InChIKey: FNAWORNEVZFALK-WLHGVMLRSA-N

Molecular Formula

  • C19-H20-Cl-F-N2-S.C4-H4-O4

Molecular Weight

  • 478.9696
 
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Names and Synonyms

Synonyms

  • 1-(8-Chloro-3-fluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate
  • 3-Fluoro-octoclothepin maleate
  • VUFB-9470

Systematic Name

  • Piperazine, 1-(8-chloro-3-fluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 56097-15-5

System Generated Number

  • 0056097155

Molecular Formulas

Molecular Formula

  • C19-H20-Cl-F-N2-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H20-Cl-F-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H20ClFN2S.C4H4O4/c1-22-6-8-23(9-7-22)17-10-13-2-4-15(21)12-19(13)24-18-5-3-14(20)11-16(17)18;5-3(6)1-2-4(7)8/h2-5,11-12,17H,6-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

FNAWORNEVZFALK-WLHGVMLRSA-N

Smiles

CN1CCN(CC1)C2Cc3ccc(cc3Sc4c2cc(cc4)Cl)F.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 37600ug/kg (37.6mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 42, Pg. 1179, 1977.