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Substance Name: Piperazine, 1-(10,11-dihydro-7-fluoro-8-methyldibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (2:4:1)
RN: 64359-48-4
InChIKey: WCKZMIGEFQFOOG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-F-N2-S.2C-H4-O3-S.1/2H2-O

Molecular Weight

  • 534.6909
 
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Names and Synonyms

Synonym

  • VUFB-12327

Systematic Name

  • Piperazine, 1-(10,11-dihydro-7-fluoro-8-methyldibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 64359-48-4

System Generated Number

  • 0064359484

Molecular Formulas

Molecular Formula

  • C20-H23-F-N2-S.2C-H4-O3-S.1/2H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C20-H23-F-N2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H23FN2S.2CH4O3S/c1-14-11-16-18(23-9-7-22(2)8-10-23)12-15-5-3-4-6-19(15)24-20(16)13-17(14)21;2*1-5(2,3)4/h3-6,11,13,18H,7-10,12H2,1-2H3;2*1H3,(H,2,3,4)

InChIKey

WCKZMIGEFQFOOG-UHFFFAOYSA-N

Smiles

Cc1cc2c(cc1F)Sc3ccccc3CC2N4CCN(CC4)C.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 429mg/kg (429mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 42, Pg. 1705, 1977.