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Substance Name: Barbituric acid, 5-allyl-5-(1-methylallyl)-2-thio-, sodium salt
RN: 66941-77-3
InChIKey: GRDNWFXUKBSXGR-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-N2-O2-S.Na

Molecular Weight

  • 260.292
 
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Names and Synonyms

Synonym

  • 5-Allyl-5-(1-methylallyl)-2-thiobarbituric acid sodium salt

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66941-77-3

System Generated Number

  • 0066941773

Molecular Formulas

Molecular Formula

  • C11-H14-N2-O2-S.Na

Molecular Formula Fragments

  • C11-H14-N2-O2-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C11H14N2O2S.Na/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15;/h4-5,7H,1-2,6H2,3H3,(H2,12,13,14,15,16);/q;+1/p-1

InChIKey

GRDNWFXUKBSXGR-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 intravenous 58mg/kg (58mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 34, Pg. 183, 1945.
rat LD50 intraperitoneal 126mg/kg (126mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 34, Pg. 183, 1945.