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Substance Name: Pyridinium, 1-(1,5,6-trimethyl-2-benzimidazolyl)-2,4,6-triphenyl-, iodide
RN: 130787-40-5
InChIKey: BKFWUMXLMGMDTK-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H28-N3.I

Molecular Weight

  • 593.5052
 
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Names and Synonyms

Synonym

  • 1-(1,5,6-Trimethyl-2-benzimidazolyl)-2,4,6-triphenylpyridinium iodide

Systematic Name

  • Pyridinium, 1-(1,5,6-trimethyl-2-benzimidazolyl)-2,4,6-triphenyl-, iodide

Registry Numbers

CAS Registry Number

  • 130787-40-5

System Generated Number

  • 0130787405

Molecular Formulas

Molecular Formula

  • C33-H28-N3.I

Molecular Formula Fragments

  • C33-H28-N3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C33H28N3.HI/c1-23-19-29-32(20-24(23)2)35(3)33(34-29)36-30(26-15-9-5-10-16-26)21-28(25-13-7-4-8-14-25)22-31(36)27-17-11-6-12-18-27;/h4-22H,1-3H3;1H/q+1;/p-1

InChIKey

BKFWUMXLMGMDTK-UHFFFAOYSA-M

Smiles

Cc1cc2c(cc1C)n(c(n2)[n+]3c(cc(cc3c4ccccc4)c5ccccc5)c6ccccc6)C.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 6400mg/kg (6400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 309, 1990.