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Substance Name: Pyridinium, 1-(5-((4,6-dimethyl-2-pyrimidinyl)thio)pentyl)-, bromide
RN: 90094-31-8
InChIKey: HMGRWJXTQMZFEO-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-N3-S.Br

Molecular Weight

  • 368.3408
 
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Names and Synonyms

Synonym

  • 1-(5-((4,6-Dimethyl-2-pyrimidinyl)thio)pentyl)pyridinium bromide

Systematic Name

  • Pyridinium, 1-(5-((4,6-dimethyl-2-pyrimidinyl)thio)pentyl)-, bromide

Registry Numbers

CAS Registry Number

  • 90094-31-8

System Generated Number

  • 0090094318

Molecular Formulas

Molecular Formula

  • C16-H22-N3-S.Br

Molecular Formula Fragments

  • Br
  • C16-H22-N3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C16H22N3S.BrH/c1-14-13-15(2)18-16(17-14)20-12-8-4-7-11-19-9-5-3-6-10-19;/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3;1H/q+1;/p-1

InChIKey

HMGRWJXTQMZFEO-UHFFFAOYSA-M

Smiles

[Br-].Cc1cc(C)nc(SCCCCC[n+]2ccccc2)n1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 850mg/kg (850mg/kg)   Russian Pharmacology and Toxicology Vol. 47, Pg. 67, 1984.