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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-ethoxyethyl)-1-piperazinyl)-, dimethanesulfonate
RN: 91663-69-3
InChIKey: UUAWXILOVKFJPR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-Br-Cl-N6-O-S.2C-H4-O3-S

Molecular Weight

  • 728.1068
 
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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-ethoxyethyl)-1-piperazinyl)-, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 91663-69-3

System Generated Number

  • 0091663693

Molecular Formulas

Molecular Formula

  • C22-H24-Br-Cl-N6-O-S.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C22-H24-Br-Cl-N6-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H24BrClN6OS.2CH4O3S/c1-2-31-12-11-28-7-9-29(10-8-28)22-27-26-19-14-25-20(15-5-3-4-6-17(15)24)16-13-18(23)32-21(16)30(19)22;2*1-5(2,3)4/h3-6,13H,2,7-12,14H2,1H3;2*1H3,(H,2,3,4)

InChIKey

UUAWXILOVKFJPR-UHFFFAOYSA-N

Smiles

CCOCCN1CCN(CC1)c2nnc3CN=C(c4ccccc4Cl)c5cc(Br)sc5n23.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 272mg/kg (272mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 49, Pg. 621, 1984.