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Substance Name: Barbituric acid, 5-(allylthiomethyl)-5-ethyl-, sodium salt
RN: 66941-91-1
InChIKey: YTECVTVOOABYOO-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N2-O3-S.Na

Molecular Weight

  • 264.28
 
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Names and Synonyms

Synonyms

  • 5-(Allylthiomethyl)-5-ethylbarbituric acid sodium salt
  • Sodium 5-(allylthiomethyl)-5-ethylbarbiturate

Systematic Name

  • Barbituric acid, 5-(allylthiomethyl)-5-ethyl-, sodium salt

Registry Numbers

CAS Registry Number

  • 66941-91-1

System Generated Number

  • 0066941911

Molecular Formulas

Molecular Formula

  • C10-H14-N2-O3-S.Na

Molecular Formula Fragments

  • C10-H14-N2-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C10H14N2O3S.Na/c1-3-5-16-6-10(4-2)7(13)11-9(15)12-8(10)14;/h3H,1,4-6H2,2H3,(H2,11,12,13,14,15);/q;+1/p-1

InChIKey

YTECVTVOOABYOO-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 intravenous 156mg/kg (156mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 244, 1946.
rat LD50 intravenous 100mg/kg (100mg/kg) BEHAVIORAL: ANTICONVULSANT Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 343, 1946.