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Substance Name: 3-Picolinium, 1,1'-(p,p'-biphenylylenebis(carbonylmethyl))di-, dibromide
RN: 15172-86-8
InChIKey: YAEANQXMMPFYHR-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H26-N2-O2.2Br

Molecular Weight

  • 582.333
 
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Names and Synonyms

Synonyms

  • 1,1'-(4,4'-Biphenylenebis(2-oxoethylene))bis(3-methylpyridinium) dibromide
  • 3-Picolinium, 1,1'-(4,4'-biphenylylenebis(2-oxoethylene))di-, dibromide
  • 4,4'-Bisacetophenone-alpha,alpha'-di(3-methylpyridinium)dibromide
  • NSC 152437
  • Pyridinium, 1,1'-(4,4'-biphenylenebis(2-oxoethylene))bis(3-methyl-, dibromide

Systematic Names

  • 3-Picolinium, 1,1'-(4,4'-biphenylylenebis(2-oxoethylene))di-, dibromide (8CI)
  • 3-Picolinium, 1,1'-(p,p'-biphenylylenebis(carbonylmethyl))di-, dibromide
  • Pyridinium, 1,1'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(3-methyl-, dibromide (9CI)

Registry Numbers

CAS Registry Number

  • 15172-86-8

System Generated Number

  • 0015172868

Molecular Formulas

Molecular Formula

  • C28-H26-N2-O2.2Br

Molecular Formula Fragments

  • Br
  • C28-H26-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C28H26N2O2.2BrH/c1-21-5-3-15-29(17-21)19-27(31)25-11-7-23(8-12-25)24-9-13-26(14-10-24)28(32)20-30-16-4-6-22(2)18-30;;/h3-18H,19-20H2,1-2H3;2*1H/q+2;;/p-2

InChIKey

YAEANQXMMPFYHR-UHFFFAOYSA-L

Smiles

[n+]1(CC(c2ccc(cc2)c2ccc(C(C[n+]3cc(C)ccc3)=O)cc2)=O)cc(C)ccc1.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50ug/kg (0.05mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 43, Pg. 79, 1954.
mouse LD50 intravenous 69ug/kg (0.069mg/kg)   Toxicology and Applied Pharmacology. Vol. 27, Pg. 666, 1974.