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Substance Name: Barbituric acid, 5-ethyl-5-(hexylthiomethyl)-, sodium salt
RN: 66968-45-4
InChIKey: WTPYIOSLODPZKD-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-N2-O3-S.Na

Molecular Weight

  • 308.3759
 
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Names and Synonyms

Synonyms

  • 5-Ethyl-5-(hexylthiomethyl)barbituric acid sodium salt
  • Sodium 5-ethyl-5-(hexylthiomethyl)barbiturate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66968-45-4

System Generated Number

  • 0066968454

Molecular Formulas

Molecular Formula

  • C13-H22-N2-O3-S.Na

Molecular Formula Fragments

  • C13-H22-N2-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C13H22N2O3S.Na/c1-3-5-6-7-8-19-9-13(4-2)10(16)14-12(18)15-11(13)17;/h3-9H2,1-2H3,(H2,14,15,16,17,18);/q;+1/p-1

InChIKey

WTPYIOSLODPZKD-UHFFFAOYSA-M

Smiles

[Na+].CCCCCCSCC1(CC)C(=O)NC(=O)[N-]C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 intravenous 43mg/kg (43mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 244, 1946.