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Substance Name: Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate
RN: 51724-32-4
InChIKey: UTWDUHOEKKGTFB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N3-O2-S2.2C-H4-O3-S

Molecular Weight

  • 595.7797
 
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Names and Synonyms

  • Methanesulfonamide, N-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 51724-32-4

System Generated Number

  • 0051724324

Molecular Formulas

Molecular Formula

  • C20-H25-N3-O2-S2.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C20-H25-N3-O2-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H25N3O2S2.2CH4O3S/c1-22-9-11-23(12-10-22)18-13-15-5-3-4-6-19(15)26-20-8-7-16(14-17(18)20)21-27(2,24)25;2*1-5(2,3)4/h3-8,14,18,21H,9-13H2,1-2H3;2*1H3,(H,2,3,4)

InChIKey

UTWDUHOEKKGTFB-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)NS(=O)(=O)C.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 94500ug/kg (94.5mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 2484, 1973.