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Substance Name: Barbituric acid, 5-(1,3-dimethylbutyl)-5-ethyl-, sodium salt
RN: 6592-90-1
InChIKey: NSQJQTKYLICJOV-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-N2-O3.Na

Molecular Weight

  • 260.2673
 
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Names and Synonyms

Synonym

  • Sodium 5-(1,3-dimethylbutyl)-5-ethylbarbiturate

Systematic Name

  • Barbituric acid, 5-(1,3-dimethylbutyl)-5-ethyl-, sodium salt

Registry Numbers

CAS Registry Number

  • 6592-90-1

Related Registry Number

  • 2964-06-9 (Parent)

System Generated Number

  • 0006592901

Molecular Formulas

Molecular Formula

  • C12-H20-N2-O3.Na

Molecular Formula Fragments

  • C12-H20-N2-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H18N2O3.Na/c1-5-12(8(4)6-7(2)3)9(15)13-11(17)14-10(12)16;/h6,8H,5H2,1-4H3,(H2,13,14,15,16,17);/q;+1/p-1

InChIKey

NSQJQTKYLICJOV-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 22mg/kg (22mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Quarterly Journal of Pharmacy & Pharmacology. Vol. 12, Pg. 657, 1939.
mouse LD50 intraperitoneal 24mg/kg (24mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Quarterly Journal of Pharmacy & Pharmacology. Vol. 12, Pg. 657, 1939.
mouse LD50 subcutaneous 27mg/kg (27mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Quarterly Journal of Pharmacy & Pharmacology. Vol. 12, Pg. 657, 1939.
rabbit LD50 intravenous 20mg/kg (20mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Quarterly Journal of Pharmacy & Pharmacology. Vol. 12, Pg. 657, 1939.
rat LD50 subcutaneous 22mg/kg (22mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Quarterly Journal of Pharmacy & Pharmacology. Vol. 12, Pg. 657, 1939.
rat LDLo intraperitoneal 10mg/kg (10mg/kg)   Journal of the American Chemical Society. Vol. 58, Pg. 585, 1936.
rat LDLo parenteral 10mg/kg (10mg/kg)   Journal of the American Chemical Society. Vol. 58, Pg. 585, 1936.