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Substance Name: Barbituric acid, 5-sec-butyl-5-(2-methylallyl)-, sodium salt
RN: 67050-42-4
InChIKey: KYKQQPXGWKWUJC-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N2-O3.Na

Molecular Weight

  • 260.267
 
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Names and Synonyms

Synonym

  • 5-sec-Butyl-5-(2-methylallyl)barbituric acid sodium salt

Systematic Name

  • Barbituric acid, 5-sec-butyl-5-(2-methylallyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 67050-42-4

System Generated Number

  • 0067050424

Molecular Formulas

Molecular Formula

  • C12-H18-N2-O3.Na

Molecular Formula Fragments

  • C12-H18-N2-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H18N2O3.Na/c1-5-8(4)12(6-7(2)3)9(15)13-11(17)14-10(12)16;/h8H,2,5-6H2,1,3-4H3,(H2,13,14,15,16,17);/q;+1/p-1

InChIKey

KYKQQPXGWKWUJC-UHFFFAOYSA-M

Smiles

C1([C@@](C(N=C(N1)[O-])=O)([C@@H](CC)C)CC(C)=C)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 185mg/kg (185mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 34, Pg. 183, 1945.