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Substance Name: Pyridinium, 1-(3-(2-phenyl-1,2-dicarbadodecabaran(12)-1-yl)propyl)-, bromide
RN: 59354-73-3
InChIKey: AHOOYZLSXICBFQ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H26-B10-N.Br

Molecular Weight

  • 420.4024
 
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Names and Synonyms

Synonym

  • 1-(3-(2-Phenyl-1,2-dicarbadodecabaran(12)-1-yl))propylpyridinium bromide

Systematic Name

  • Pyridinium, 1-(3-(2-phenyl-1,2-dicarbadodecabaran(12)-1-yl)propyl)-, bromide

Registry Numbers

CAS Registry Number

  • 59354-73-3

System Generated Number

  • 0059354733

Molecular Formulas

Molecular Formula

  • C16-H26-B10-N.Br

Molecular Formula Fragments

  • Br
  • C16-H26-B10-N
  • COMPONENT

Structure Descriptors

InChI

1S/C16H26B10N.BrH/c1-3-8-14(9-4-1)16-15(10-7-13-27-11-5-2-6-12-27)17(16)19(16)20(16)22-23-21(24(15,16,20)23)18(15)25(17,19,22)26(18,21,22)23;/h1-6,8-9,11-12,17-26H,7,10,13H2;1H/q+1;/p-1

InChIKey

AHOOYZLSXICBFQ-UHFFFAOYSA-M

Smiles

[BH]123[BH]45[BH]167[BH]28[BH]69[BH]741[BH]24[BH]55[BH]383C522([BH]14C329CCC[n+]1ccccc1)c1ccccc1.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 100mg/kg (100mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 50, 1976.