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Substance Name: Barbituric acid, 5-ethyl-5-isopropyl-2-thio-, sodium salt
RN: 36993-63-2
InChIKey: OPPYCUJIMLANNL-UHFFFAOYSA-M

Molecular Formula

  • C9-H14-N2-O2-S.Na

Molecular Weight

  • 236.27
 
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Names and Synonyms

Synonyms

  • 5-Ethyl-5-isopropyl-2-thiobarbituric acid sodium salt
  • Sodium isopropylethyl thiobarbiturate

Systematic Names

  • 4,6(1H,5H)-Pyrimidinedione, 5-ethyl-2-mercapto-5-(1-methylethyl)-, monosodium salt
  • Barbituric acid, 5-ethyl-5-isopropyl-2-thio-, sodium salt

Registry Numbers

CAS Registry Number

  • 36993-63-2

System Generated Number

  • 0036993632

Molecular Formulas

Molecular Formula

  • C9-H14-N2-O2-S.Na

Molecular Formula Fragments

  • C9-H14-N2-O2-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C9H14N2O2S.Na/c1-4-9(5(2)3)6(12)10-8(14)11-7(9)13;/h5H,4H2,1-3H3,(H2,10,11,12,13,14);/q;+1/p-1

InChIKey

OPPYCUJIMLANNL-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 100mg/kg (100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937.
rat LDLo intravenous 120mg/kg (120mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937.
rat LDLo oral 200mg/kg (200mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937.