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Substance Name: Piperazine, 1-(9-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (2:4:1)
RN: 54920-90-0
InChIKey: UDFICRUIAOWSRQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-Cl-N2-S.2C-H4-O3-S.1/2H2-O

Molecular Weight

  • 537.1191
 
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Names and Synonyms

Synonym

  • 9-Chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate 1/2H2O

Systematic Name

  • Piperazine, 1-(9-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 54920-90-0

System Generated Number

  • 0054920900

Molecular Formulas

Molecular Formula

  • C19-H21-Cl-N2-S.2C-H4-O3-S.1/2H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C19-H21-Cl-N2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H21ClN2S.2CH4O3S/c1-21-9-11-22(12-10-21)16-13-14-5-2-3-7-17(14)23-18-8-4-6-15(20)19(16)18;2*1-5(2,3)4/h2-8,16H,9-13H2,1H3;2*1H3,(H,2,3,4)

InChIKey

UDFICRUIAOWSRQ-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)C2Cc3ccccc3Sc4c2c(ccc4)Cl.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 72840ug/kg (72.84mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 333, 1974.