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Substance Name: Pyridinium, 1-(2-hydroxy-3-(4-(4-nitrobenzoyl)phenoxy)propyl)-4-phenyl-, chloride
RN: 108357-17-1
InChIKey: HTBDAUVQDFFXCL-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H23-N2-O5.Cl

Molecular Weight

  • 490.9407
 
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Names and Synonyms

Synonyms

  • 1-(2-Hydroxy-3-(4-(4-nitrobenzoyl)phenoxy)propyl)-4-phenylpyridinium chloride
  • 1-(2-Hydroxy-3-(p-(p-nitrobenzoyl)phenoxy)propyl)-4-phenylpyridinium chloride

Systematic Name

  • Pyridinium, 1-(2-hydroxy-3-(4-(4-nitrobenzoyl)phenoxy)propyl)-4-phenyl-, chloride

Registry Numbers

CAS Registry Number

  • 108357-17-1

System Generated Number

  • 0108357171

Molecular Formulas

Molecular Formula

  • C27-H23-N2-O5.Cl

Molecular Formula Fragments

  • C27-H23-N2-O5
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C27H23N2O5.ClH/c30-25(18-28-16-14-21(15-17-28)20-4-2-1-3-5-20)19-34-26-12-8-23(9-13-26)27(31)22-6-10-24(11-7-22)29(32)33;/h1-17,25,30H,18-19H2;1H/q+1;/p-1

InChIKey

HTBDAUVQDFFXCL-UHFFFAOYSA-M

Smiles

c1ccc(cc1)c2cc[n+](cc2)CC(COc3ccc(cc3)C(=O)c4ccc(cc4)[N+](=O)[O-])O.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #4675328,