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Substance Name: Pyridinium, 1-(2-(((4-(2-(5-nitro-1-vinyl-1H-imidazol-2-yl)vinyl)phenyl)methylene)hydrazino)-2-oxoethyl)-, chloride, hydrate (1:1:2)
RN: 54738-61-3
InChIKey: DSNPHTGVYRWVOT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H19-N6-O3.Cl.2H2-O

Molecular Weight

  • 438.8731
 
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Names and Synonyms

  • Pyridinium, 1-(2-(((4-(2-(5-nitro-1-vinyl-1H-imidazol-2-yl)vinyl)phenyl)methylene)hydrazino)-2-oxoethyl)-, chloride, hydrate (1:1:2)

Registry Numbers

CAS Registry Number

  • 54738-61-3

System Generated Number

  • 0054738613

Molecular Formulas

Molecular Formula

  • C21-H19-N6-O3.Cl.2H2-O

Molecular Formula Fragments

  • C21-H19-N6-O3
  • Cl
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H18N6O3.ClH/c1-2-26-19(22-15-21(26)27(29)30)11-10-17-6-8-18(9-7-17)14-23-24-20(28)16-25-12-4-3-5-13-25;/h2-15H,1,16H2;1H

InChIKey

DSNPHTGVYRWVOT-UHFFFAOYSA-N

Smiles

C=Cn1c(cnc1/C=C/c2ccc(cc2)/C=N/NC(=O)C[n+]3ccccc3)[N+](=O)[O-].[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 158, 1975.