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Substance Name: 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-(4-methyl-1-piperazinyl)-6-phenyl-, (E)-2-butenedioate (1:1)
RN: 88708-45-6
InChIKey: ZJAKWALDFBTBIJ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-Cl-N6.C4-H4-O4

Molecular Weight

  • 508.9635
 
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Names and Synonyms

Synonym

  • 8-Chloro-1-(4-methylpiperazino)-6-phenyl-4H-s-triazolo(4,3-a)-1,4-benzodiazepine fumarate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 88708-45-6

System Generated Number

  • 0088708456

Molecular Formulas

Molecular Formula

  • C21-H21-Cl-N6.C4-H4-O4

Molecular Formula Fragments

  • C21-H21-Cl-N6
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H21ClN6.C4H4O4/c1-26-9-11-27(12-10-26)21-25-24-19-14-23-20(15-5-3-2-4-6-15)17-13-16(22)7-8-18(17)28(19)21;5-3(6)1-2-4(7)8/h2-8,13H,9-12,14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ZJAKWALDFBTBIJ-WLHGVMLRSA-N

Smiles

n12c(nnc2CN=C(c2c1ccc(c2)Cl)c1ccccc1)N1CCN(CC1)C.C(=O)(/C=C/C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 440mg/kg (440mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 2395, 1983.