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Substance Name: Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine, 3-(4-methyl-1-piperazinyl)-, dimethanesulfonate
RN: 87213-38-5
InChIKey: QPVNGCBKWMNZKF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-N5-S.C2-H8-O6-S2

Molecular Weight

  • 541.6713
 
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Names and Synonyms

Synonyms

  • 3-(4-Methyl-1-piperazinyl)dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine dimethanesulfonate
  • 3-(4-Methylpiperazino)dibenzo(b,f)-1,2,4-triazolo(4,3-d)-1,4-thiazepine dimethanesulfonate

Systematic Name

  • Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine, 3-(4-methyl-1-piperazinyl)-, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 87213-38-5

System Generated Number

  • 0087213385

Molecular Formulas

Molecular Formula

  • C19-H19-N5-S.C2-H8-O6-S2

Molecular Formula Fragments

  • C19-H19-N5-S
  • C2-H8-O6-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C19H19N5S.2CH4O3S/c1-22-10-12-23(13-11-22)19-21-20-18-14-6-2-4-8-16(14)25-17-9-5-3-7-15(17)24(18)19;2*1-5(2,3)4/h2-9H,10-13H2,1H3;2*1H3,(H,2,3,4)

InChIKey

QPVNGCBKWMNZKF-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)c2nnc-3n2-c4ccccc4Sc5c3cccc5.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2170ug/kg (2.17mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 1465, 1983.
mouse LD50 oral 78mg/kg (78mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 1465, 1983.
rat LD50 intravenous 2092ug/kg (2.092mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 1465, 1983.