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Substance Name: Barbituric acid, 5-ethyl-5-(1-(pentylthio)ethyl)-2-thio-, sodium salt
RN: 67050-86-6
InChIKey: JMUPXXJXVBLPPS-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-N2-O2-S2.Na

Molecular Weight

  • 324.443
 
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Names and Synonyms

Synonyms

  • 5-Ethyl-5-(1-(pentylthio)ethyl)-2-thiobarbituric acid sodium salt
  • Sodium 5-ethyl-5-(1-(pentylthio)ethyl)-2-thiobarbiturate

Systematic Name

  • Barbituric acid, 5-ethyl-5-(1-(pentylthio)ethyl)-2-thio-, sodium salt

Registry Numbers

CAS Registry Number

  • 67050-86-6

System Generated Number

  • 0067050866

Molecular Formulas

Molecular Formula

  • C13-H22-N2-O2-S2.Na

Molecular Formula Fragments

  • C13-H22-N2-O2-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C13H22N2O2S2.Na/c1-4-6-7-8-19-9(3)13(5-2)10(16)14-12(18)15-11(13)17;/h9H,4-8H2,1-3H3,(H2,14,15,16,17,18);/q;+1/p-1

InChIKey

JMUPXXJXVBLPPS-UHFFFAOYSA-M

Smiles

C1(C(NC(=S)[NH-]C1=O)=O)([C@@H](SCCCCC)C)CC.[Na+]

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.