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Substance Name: Piperazine, 1-(8-chloro-7-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)
RN: 60811-07-6
InChIKey: FEAUXNFCJVPVAW-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H18-Cl-F-N2-S.C4-H4-O4

Molecular Weight

  • 476.9538
 
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Names and Synonyms

Synonym

  • 1-(8-Chloro-7-fluorodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate

Systematic Name

  • Piperazine, 1-(8-chloro-7-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 60811-07-6

System Generated Number

  • 0060811076

Molecular Formulas

Molecular Formula

  • C19-H18-Cl-F-N2-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H18-Cl-F-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H18ClFN2S.C4H4O4/c1-22-6-8-23(9-7-22)17-10-13-4-2-3-5-18(13)24-19-12-16(21)15(20)11-14(17)19;5-3(6)1-2-4(7)8/h2-5,10-12H,6-9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

FEAUXNFCJVPVAW-WLHGVMLRSA-N

Smiles

CN1CCN(CC1)C2=Cc3ccccc3Sc4c2cc(c(c4)F)Cl.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 489mg/kg (489mg/kg) PERIPHERAL NERVE AND SENSATION: PARESTHESIS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 881, 1976.