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Substance Name: Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine, 12-chloro-3-(4-methyl-1-piperazinyl)-, dimethanesulfonate
RN: 87213-41-0
InChIKey: NLLXSACYOMKLIY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H18-Cl-N5-S.C2-H8-O6-S2

Molecular Weight

  • 576.1164
 
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Names and Synonyms

  • Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine, 12-chloro-3-(4-methyl-1-piperazinyl)-, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 87213-41-0

System Generated Number

  • 0087213410

Molecular Formulas

Molecular Formula

  • C19-H18-Cl-N5-S.C2-H8-O6-S2

Molecular Formula Fragments

  • C19-H18-Cl-N5-S
  • C2-H8-O6-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C19H18ClN5S.2CH4O3S/c1-23-8-10-24(11-9-23)19-22-21-18-14-12-13(20)6-7-16(14)26-17-5-3-2-4-15(17)25(18)19;2*1-5(2,3)4/h2-7,12H,8-11H2,1H3;2*1H3,(H,2,3,4)

InChIKey

NLLXSACYOMKLIY-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)c2nnc3c4cc(Cl)ccc4Sc5ccccc5n23.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 19mg/kg (19mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 1465, 1983.
rat LD50 intravenous 12mg/kg (12mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 1465, 1983.