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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-(3-methoxypropyl)-1-piperazinyl)-, monomethanesulfonate
RN: 91663-67-1
InChIKey: LAABGZOCYCIFQW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-Br-Cl-N6-O-S.C-H4-O3-S

Molecular Weight

  • 632.0012
 
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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-(3-methoxypropyl)-1-piperazinyl)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 91663-67-1

System Generated Number

  • 0091663671

Molecular Formulas

Molecular Formula

  • C22-H24-Br-Cl-N6-O-S.C-H4-O3-S

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C22H24BrClN6OS.CH4O3S/c1-31-12-4-7-28-8-10-29(11-9-28)22-27-26-19-14-25-20(15-5-2-3-6-17(15)24)16-13-18(23)32-21(16)30(19)22;1-5(2,3)4/h2-3,5-6,13H,4,7-12,14H2,1H3;1H3,(H,2,3,4)

InChIKey

LAABGZOCYCIFQW-UHFFFAOYSA-N

Smiles

COCCCN1CCN(CC1)c2nnc3CN=C(c4ccccc4Cl)c5cc(Br)sc5n23.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 236mg/kg (236mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 49, Pg. 621, 1984.