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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1)
RN: 56096-64-1
InChIKey: QXAAIEQOZVZGGR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Cl-N2-O-S.2C-H4-O3-S.H2-O

Molecular Weight

  • 567.1449
 
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Names and Synonyms

  • Piperazine, 1-(8-chloro-10,11-dihydro-2-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 56096-64-1

System Generated Number

  • 0056096641

Molecular Formulas

Molecular Formula

  • C20-H23-Cl-N2-O-S.2C-H4-O3-S.H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C20H23ClN2OS.2CH4O3S/c1-22-7-9-23(10-8-22)18-12-14-11-16(24-2)4-6-19(14)25-20-5-3-15(21)13-17(18)20;2*1-5(2,3)4/h3-6,11,13,18H,7-10,12H2,1-2H3;2*1H3,(H,2,3,4)

InChIKey

QXAAIEQOZVZGGR-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)C2Cc3cc(ccc3Sc4c2cc(cc4)Cl)OC.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 499mg/kg (499mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 3548, 1974.