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Substance Name: 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-((4-methyl-1-piperazinyl)methyl)-6-phenyl-, (E)-2-butenedioate (1:1)
RN: 89719-70-0
InChIKey: ZNJAOPSXEXUAEI-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-Cl-N6.C4-H4-O4

Molecular Weight

  • 522.9903
 
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Names and Synonyms

  • 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-((4-methyl-1-piperazinyl)methyl)-6-phenyl-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 89719-70-0

System Generated Number

  • 0089719700

Molecular Formulas

Molecular Formula

  • C22-H23-Cl-N6.C4-H4-O4

Molecular Formula Fragments

  • C22-H23-Cl-N6
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H23ClN6.C4H4O4/c1-27-9-11-28(12-10-27)15-21-26-25-20-14-24-22(16-5-3-2-4-6-16)18-13-17(23)7-8-19(18)29(20)21;5-3(6)1-2-4(7)8/h2-8,13H,9-12,14-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ZNJAOPSXEXUAEI-WLHGVMLRSA-N

Smiles

CN1CCN(Cc2nnc3CN=C(c4ccccc4)c5cc(Cl)ccc5n23)CC1.OC(=O)\C=C\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 3433, 1983.