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Substance Name: Dibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-N,N-dimethyl-11-(1-piperazinyl)-, dimethanesulfonate
RN: 51723-68-3
InChIKey: DTNTUYXPHPCRFI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N3-O2-S2.2C-H4-O3-S

Molecular Weight

  • 595.78
 
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Names and Synonyms

Synonym

  • 8-(Dimethylsulfamoyl)-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate

Systematic Name

  • Dibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-N,N-dimethyl-11-(1-piperazinyl)-, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 51723-68-3

System Generated Number

  • 0051723683

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

InChIKey

DTNTUYXPHPCRFI-UHFFFAOYSA-N

Smiles

S(c1cc2[C@@H](N3CCNCC3)Cc3ccccc3Sc2cc1)(N(C)C)(=O)=O.S(O)(=O)(=O)C.S(O)(=O)(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 16500ug/kg (16.5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 2137, 1973.