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Substance Name: Piperazine, 1-(7-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)
RN: 77242-31-0
InChIKey: BDUZXBHLPVHULV-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-F-N2-S.C4-H4-O4

Molecular Weight

  • 442.5087
 
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Names and Synonyms

Synonyms

  • 1-(7-Fluorodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate
  • 3-Fluoro-11-(4-methylpiperazino)dibenzo(b,f)thiepin maleate
  • VUFB-12287

Systematic Name

  • Piperazine, 1-(7-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 77242-31-0

System Generated Number

  • 0077242310

Molecular Formulas

Molecular Formula

  • C19-H19-F-N2-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H19-F-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H19FN2S.C4H4O4/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-13-15(20)6-7-16(17)19;5-3(6)1-2-4(7)8/h2-7,12-13H,8-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

BDUZXBHLPVHULV-WLHGVMLRSA-N

Smiles

CN1CCN(CC1)C2=Cc3ccccc3Sc4c2ccc(c4)F.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 258mg/kg (258mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 45, Pg. 1086, 1980.