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Substance Name: Pyridinium, 3-carbamoyl-1-(7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl)-, chloride
RN: 52995-06-9
InChIKey: CSWDSRGWVHVGBE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H15-Cl2-N4-O2.Cl

Molecular Weight

  • 461.7345
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 52995-06-9

System Generated Number

  • 0052995069

Molecular Formulas

Molecular Formula

  • C21-H15-Cl2-N4-O2.Cl

Molecular Formula Fragments

  • C21-H15-Cl2-N4-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C21H14Cl2N4O2.ClH/c22-13-7-8-17-15(10-13)18(14-5-1-2-6-16(14)23)26-20(21(29)25-17)27-9-3-4-12(11-27)19(24)28;/h1-11,20H,(H2-,24,25,26,28,29);1H

InChIKey

CSWDSRGWVHVGBE-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C2=NC(C(=O)Nc3c2cc(cc3)Cl)[n+]4cccc(c4)C(=O)N)Cl.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 1680ug/kg (1.68mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 766, 1974.