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Substance Name: Barbituric acid, 5-(1-(ethylthio)ethyl)-5-hexyl-, sodium salt
RN: 67051-03-0
InChIKey: GMCWJFYMTWSTLY-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H24-N2-O3-S.Na

Molecular Weight

  • 322.4027
 
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Names and Synonyms

Synonyms

  • 5-(1-(Ethylthio)ethyl)-5-hexylbarbituric acid sodium salt
  • Sodium 5-(1-(ethylthio)ethyl)-5-hexylbarbiturate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67051-03-0

System Generated Number

  • 0067051030

Molecular Formulas

Molecular Formula

  • C14-H24-N2-O3-S.Na

Molecular Formula Fragments

  • C14-H24-N2-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C14H24N2O3S.Na/c1-4-6-7-8-9-14(10(3)20-5-2)11(17)15-13(19)16-12(14)18;/h10H,4-9H2,1-3H3,(H2,15,16,17,18,19);/q;+1/p-1

InChIKey

GMCWJFYMTWSTLY-UHFFFAOYSA-M

Smiles

[Na+].CCCCCCC1(C(C)SCC)C(=O)NC(=O)[N-]C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 intravenous 45mg/kg (45mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 244, 1946.