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Substance Name: Barbituric acid, 5-butyl-5-(1-methylallyl)-, sodium salt
RN: 67050-41-3
InChIKey: MLPQZVYCXBMARD-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-Butyl-5-(1-methylallyl)barbituric acid sodium salt

Systematic Name

  • Barbituric acid, 5-butyl-5-(1-methylallyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 67050-41-3

System Generated Number

  • 0067050413

Molecular Formulas

Molecular Formula

  • C12-H18-N2-O3.Na

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C12H18N2O3.Na/c1-4-6-7-12(8(3)5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/p-1

InChIKey

MLPQZVYCXBMARD-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 222mg/kg (222mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

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