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Substance Name: Barbituric acid, 5-ethyl-5-(isobutylthiomethyl)-, sodium salt
RN: 66968-51-2
InChIKey: AANJFVIYBAJBQC-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H18-N2-O3-S.Na

Molecular Weight

  • 280.3223
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66968-51-2

System Generated Number

  • 0066968512

Molecular Formulas

Molecular Formula

  • C11-H18-N2-O3-S.Na

Molecular Formula Fragments

  • C11-H18-N2-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C11H18N2O3S.Na/c1-4-11(6-17-5-7(2)3)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1

InChIKey

AANJFVIYBAJBQC-UHFFFAOYSA-M

Smiles

[Na+].CCC1(CSCC(C)C)C(=O)NC(=O)[N-]C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 277mg/kg (277mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 231, 1946.
rabbit LD50 intravenous 104mg/kg (104mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 244, 1946.