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Substance Name: Barbituric acid, 5-allyl-5-(1-(allylthio)ethyl)-, sodium salt
RN: 66941-48-8
InChIKey: BWTQVLPIDQSRCW-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-N2-O3-S.Na

Molecular Weight

  • 290.318
 
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Names and Synonyms

Synonyms

  • 5-Allyl-5-(1-(allylthio)ethyl)barbituric acid sodium salt
  • Sodium 5-allyl-5-(1-(allylthio)ethyl)barbiturate

Systematic Name

  • Barbituric acid, 5-allyl-5-(1-(allylthio)ethyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 66941-48-8

System Generated Number

  • 0066941488

Molecular Formulas

Molecular Formula

  • C12-H16-N2-O3-S.Na

Molecular Formula Fragments

  • C12-H16-N2-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H16N2O3S.Na/c1-4-6-12(8(3)18-7-5-2)9(15)13-11(17)14-10(12)16;/h4-5,8H,1-2,6-7H2,3H3,(H2,13,14,15,16,17);/q;+1/p-1

InChIKey

BWTQVLPIDQSRCW-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 95mg/kg (95mg/kg) BEHAVIORAL: ANTICONVULSANT Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 343, 1946.
rat LD50 oral 346mg/kg (346mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 231, 1946.