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Substance Name: Piperazine, 1-(2-chloro-10,11-dihydro-7-fluoro-dibenzo(b,f)thiepin-10-yl)-4-(2-(m-dioxan-2-yl)ethyl)-, monomethanesulfonate
RN: 104821-43-4
InChIKey: UKPVQKNZWXOHTK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H28-Cl-F-N2-O2-S.C-H4-O3-S

Molecular Weight

  • 559.1198
 
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Names and Synonyms

  • Piperazine, 1-(2-chloro-10,11-dihydro-7-fluoro-dibenzo(b,f)thiepin-10-yl)-4-(2-(m-dioxan-2-yl)ethyl)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 104821-43-4

System Generated Number

  • 0104821434

Molecular Formulas

Molecular Formula

  • C24-H28-Cl-F-N2-O2-S.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C24-H28-Cl-F-N2-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C24H28ClFN2O2S.CH4O3S/c25-18-2-5-22-17(14-18)15-21(20-4-3-19(26)16-23(20)31-22)28-10-8-27(9-11-28)7-6-24-29-12-1-13-30-24;1-5(2,3)4/h2-5,14,16,21,24H,1,6-13,15H2;1H3,(H,2,3,4)

InChIKey

UKPVQKNZWXOHTK-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.c1cc2c(cc1F)Sc3ccc(cc3CC2N4CCN(CC4)CCC5OCCCO5)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 93700ug/kg (93.7mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 51, Pg. 2598, 1986.
mouse LD50 oral > 604mg/kg (604mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 51, Pg. 2598, 1986.