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Substance Name: Piperazine, 1-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-4-(2-(1,3-dioxolan-2-yl)ethyl)-, monomethanesulfonate
RN: 104821-40-1
InChIKey: DVRLSPNESPIRQB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-Cl-F-N2-O2-S.C-H4-O3-S

Molecular Weight

  • 545.093
 
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Names and Synonyms

  • Piperazine, 1-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-4-(2-(1,3-dioxolan-2-yl)ethyl)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 104821-40-1

System Generated Number

  • 0104821401

Molecular Formulas

Molecular Formula

  • C23-H26-Cl-F-N2-O2-S.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C23-H26-Cl-F-N2-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C23H26ClFN2O2S.CH4O3S/c24-17-1-4-21-16(13-17)14-20(19-3-2-18(25)15-22(19)30-21)27-9-7-26(8-10-27)6-5-23-28-11-12-29-23;1-5(2,3)4/h1-4,13,15,20,23H,5-12,14H2;1H3,(H,2,3,4)

InChIKey

DVRLSPNESPIRQB-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.c1cc2c(cc1F)Sc3ccc(cc3CC2N4CCN(CC4)CCC5OCCO5)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 243mg/kg (243mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 51, Pg. 2598, 1986.