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Substance Name: Dibenzo(b,f)thiepin-2-sulfonamide, N,N-dimethyl-11-(4-methyl-1-piperazinyl)-, monomethanesulfonate
RN: 51723-72-9
InChIKey: UGIZLVADHJITRT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N3-O2-S2.C-H4-O3-S

Molecular Weight

  • 511.685
 
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Names and Synonyms

Synonym

  • 8-(Dimethylsulfamoyl)-10-(4-methylpiperazino)dibenzo(b,f)thiepin methanesulfonate

Systematic Name

  • Dibenzo(b,f)thiepin-2-sulfonamide, N,N-dimethyl-11-(4-methyl-1-piperazinyl)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 51723-72-9

System Generated Number

  • 0051723729

Molecular Formulas

Molecular Formula

  • C21-H25-N3-O2-S2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H25-N3-O2-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25N3O2S2.CH4O3S/c1-22(2)28(25,26)17-8-9-21-18(15-17)19(24-12-10-23(3)11-13-24)14-16-6-4-5-7-20(16)27-21;1-5(2,3)4/h4-9,14-15H,10-13H2,1-3H3;1H3,(H,2,3,4)

InChIKey

UGIZLVADHJITRT-UHFFFAOYSA-N

Smiles

c12C(N3CC[NH+](C)CC3)=Cc3ccccc3Sc1ccc(c2)S(N(C)C)(=O)=O.S(C)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 49mg/kg (49mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 2137, 1973.