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Substance Name: Barbituric acid, 5-(ethylthiomethyl)-5-(1-methylbutyl)-2-thio-, sodium salt
RN: 67114-25-4
InChIKey: NXDWGJVDDCVPFZ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-N2-O2-S2.Na

Molecular Weight

  • 310.416
 
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Names and Synonyms

Synonyms

  • 5-(Ethylthiomethyl)-5-(1-methylbutyl)-2-thiobarbituric acid sodium salt
  • Sodium 5-(ethylthiomethyl)-5-(1-methylbutyl)-2-thiobarbiturate

Systematic Name

  • Barbituric acid, 5-(ethylthiomethyl)-5-(1-methylbutyl)-2-thio-, sodium salt

Registry Numbers

CAS Registry Number

  • 67114-25-4

System Generated Number

  • 0067114254

Molecular Formulas

Molecular Formula

  • C12-H20-N2-O2-S2.Na

Molecular Formula Fragments

  • C12-H20-N2-O2-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H20N2O2S2.Na/c1-4-6-8(3)12(7-18-5-2)9(15)13-11(17)14-10(12)16;/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17);/q;+1/p-1

InChIKey

NXDWGJVDDCVPFZ-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 231, 1946.
rabbit LD50 intravenous 56mg/kg (56mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 244, 1946.