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Substance Name: Barbituric acid, 5-(2-methylallyl)-5-(1-methylbutyl)-2-thio-, sodium salt
RN: 67051-47-2
InChIKey: LECOUGPPOKQOPJ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-N2-O2-S.Na

Molecular Weight

  • 290.361
 
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Names and Synonyms

Synonym

  • 5-(2-Methylallyl)-5-(1-methylbutyl)-2-thiobarbituric acid sodium salt

Systematic Name

  • Barbituric acid, 5-(2-methylallyl)-5-(1-methylbutyl)-2-thio-, sodium salt

Registry Numbers

CAS Registry Number

  • 67051-47-2

System Generated Number

  • 0067051472

Molecular Formulas

Molecular Formula

  • C13-H20-N2-O2-S.Na

Molecular Formula Fragments

  • C13-H20-N2-O2-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C13H20N2O2S.Na/c1-5-6-9(4)13(7-8(2)3)10(16)14-12(18)15-11(13)17;/h9H,2,5-7H2,1,3-4H3,(H2,14,15,16,17,18);/q;+1/p-1

InChIKey

LECOUGPPOKQOPJ-UHFFFAOYSA-M

Smiles

C1(C(NC(=S)[NH-]C1=O)=O)([C@@H](CCC)C)CC(C)=C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 93mg/kg (93mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

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