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Substance Name: 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 2-bromo-4-(2-chlorophenyl)-9-(4-(2-phenylthioethyl)-1-piperazinyl)-, monomethanesulfonate
RN: 91663-76-2
InChIKey: SNUCDHIRGZTGSD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H24-Br-Cl-N6-S2.C-H4-O3-S

Molecular Weight

  • 696.1122
 
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Names and Synonyms

  • 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 2-bromo-4-(2-chlorophenyl)-9-(4-(2-phenylthioethyl)-1-piperazinyl)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 91663-76-2

System Generated Number

  • 0091663762

Molecular Formulas

Molecular Formula

  • C26-H24-Br-Cl-N6-S2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C26-H24-Br-Cl-N6-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C26H24BrClN6S2.CH4O3S/c27-22-16-20-24(19-8-4-5-9-21(19)28)29-17-23-30-31-26(34(23)25(20)36-22)33-12-10-32(11-13-33)14-15-35-18-6-2-1-3-7-18;1-5(2,3)4/h1-9,16H,10-15,17H2;1H3,(H,2,3,4)

InChIKey

SNUCDHIRGZTGSD-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.Clc1ccccc1C2=NCc3nnc(N4CCN(CCSc5ccccc5)CC4)n3c6sc(Br)cc26

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1160mg/kg (1160mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 49, Pg. 621, 1984.