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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(1-methylethyl)-, dimethanesulfonate
RN: 61014-94-6
InChIKey: MFLSBZAJZCHBKD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Cl-N2-S.2C-H4-O3-S

Molecular Weight

  • 565.1727
 
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Names and Synonyms

Synonym

  • 8-Chloro-10-(4-isopropylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin bismethanesulfonate

Systematic Name

  • Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(1-methylethyl)-, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 61014-94-6

System Generated Number

  • 0061014946

Molecular Formulas

Molecular Formula

  • C21-H25-Cl-N2-S.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H25-Cl-N2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25ClN2S.2CH4O3S/c1-15(2)23-9-11-24(12-10-23)19-13-16-5-3-4-6-20(16)25-21-8-7-17(22)14-18(19)21;2*1-5(2,3)4/h3-8,14-15,19H,9-13H2,1-2H3;2*1H3,(H,2,3,4)

InChIKey

MFLSBZAJZCHBKD-UHFFFAOYSA-N

Smiles

CC(C)N1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)Cl.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 62900ug/kg (62.9mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 910, 1976.