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Substance Name: Barbituric acid, 5-(tert-butylthiomethyl)-5-ethyl-, sodium salt
RN: 67050-73-1
InChIKey: BMUQNVDNKCRFOL-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-(tert-Butylthiomethyl)-5-ethylbarbituric acid sodium salt
  • Sodium 5-(tert-butylthiomethyl)-5-ethyl barbiturate

Systematic Name

  • Barbituric acid, 5-(tert-butylthiomethyl)-5-ethyl-, sodium salt

Registry Numbers

CAS Registry Number

  • 67050-73-1

System Generated Number

  • 0067050731

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/c1-5-11(6-17-10(2,3)4)7(14)12-9(16)13-8(11)15;/h5-6H2,1-4H3,(H2,12,13,14,15,16);/q;+1/p-1

InChIKey

BMUQNVDNKCRFOL-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 256mg/kg (256mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 231, 1946.
rabbit LD50 intravenous 162mg/kg (162mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 244, 1946.