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Substance Name: Pyridinium, 1-(7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl)-, chloride
RN: 52995-70-7
InChIKey: ZNHUCINMDMTNJG-UHFFFAOYSA-N

Molecular Formula

  • C20-H14-Cl2-N3-O.Cl

Molecular Weight

  • 418.7096
 
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Names and Synonyms

Synonym

  • Pyridinium, 1-(7-chloro-5-(2-chlorophenyl)-2-oxo-1,4-benzodiazipin-3-yl)-, chloride

Systematic Name

  • Pyridinium, 1-(7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl)-, chloride

Registry Numbers

CAS Registry Number

  • 52995-70-7

System Generated Number

  • 0052995707

Molecular Formulas

Molecular Formula

  • C20-H14-Cl2-N3-O.Cl

Molecular Formula Fragments

  • C20-H14-Cl2-N3-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C20H13Cl2N3O.ClH/c21-13-8-9-17-15(12-13)18(14-6-2-3-7-16(14)22)24-19(20(26)23-17)25-10-4-1-5-11-25;/h1-12,19H;1H

InChIKey

ZNHUCINMDMTNJG-UHFFFAOYSA-N

Smiles

c1cc[n+](cc1)C2C(=O)Nc3ccc(cc3C(=N2)c4ccccc4Cl)Cl.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 1750ug/kg (1.75mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 766, 1974.