Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

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-phenoxyethyl)-1-piperazinyl)-, monomethanesulfonate, monohydrate
RN: 91663-75-1
InChIKey: BXMVIXYOXOYLPC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H24-Br-Cl-N6-O-S.C-H4-O3-S.H2-O

Molecular Weight

  • 698.06
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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-phenoxyethyl)-1-piperazinyl)-, monomethanesulfonate, monohydrate

Registry Numbers

CAS Registry Number

  • 91663-75-1

System Generated Number

  • 0091663751

Molecular Formulas

Molecular Formula

  • C26-H24-Br-Cl-N6-O-S.C-H4-O3-S.H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C26-H24-Br-Cl-N6-O-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H24BrClN6OS.CH4O3S.H2O/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);1H2

InChIKey

BXMVIXYOXOYLPC-UHFFFAOYSA-N

Smiles

O.CS(=O)(=O)O.Clc1ccccc1C2=NCc3nnc(N4CCN(CCOc5ccccc5)CC4)n3c6sc(Br)cc26

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1195mg/kg (1195mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 49, Pg. 621, 1984.