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Substance Name: Barbituric acid, 5-allyl-5-(1-(ethylthio)ethyl)-, sodium salt
RN: 66941-70-6
InChIKey: OAUOVKGJFUEDRU-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N2-O3-S.Na

Molecular Weight

  • 278.306
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66941-70-6

System Generated Number

  • 0066941706

Molecular Formulas

Molecular Formula

  • C11-H16-N2-O3-S.Na

Molecular Formula Fragments

  • C11-H16-N2-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C11H16N2O3S.Na/c1-4-6-11(7(3)17-5-2)8(14)12-10(16)13-9(11)15;/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16);/q;+1/p-1

InChIKey

OAUOVKGJFUEDRU-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 120mg/kg (120mg/kg) BEHAVIORAL: ANTICONVULSANT Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 343, 1946.
rat LD50 oral 356mg/kg (356mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 231, 1946.