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Substance Name: Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)-
RN: 100115-13-7
InChIKey: KJHBWVPWCAYJQU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-N3-O3

Molecular Weight

  • 247.2527
 
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Names and Synonyms

Synonyms

  • 5-26-06-00340 (Beilstein Handbook Reference)
  • 5-Lutidyl-5-methylbarbituric acid
  • 5-Methyl-5-((6-methyl-2-pyridyl)methyl)barbituric acid
  • BRN 0617344

Systematic Name

  • Barbituric acid, 5-methyl-5-((6-methyl-2-pyridyl)methyl)-

Registry Numbers

CAS Registry Number

  • 100115-13-7

System Generated Number

  • 0100115137

Structure Descriptors

InChI

1S/C12H13N3O3/c1-7-4-3-5-8(13-7)6-12(2)9(16)14-11(18)15-10(12)17/h3-5H,6H2,1-2H3,(H2,14,15,16,17,18)

InChIKey

KJHBWVPWCAYJQU-UHFFFAOYSA-N

Smiles

Cc1cccc(CC2(C)C(=O)NC(=O)NC2=O)n1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo unreported 2200mg/kg (2200mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 80, Pg. 1293, 1960.