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Substance Name: Barbituric acid, 5-(butylthiomethyl)-5-isobutyl-, sodium salt
RN: 67050-74-2
InChIKey: LFHGOFISVFPORL-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-N2-O3-S.Na

Molecular Weight

  • 322.4027
 
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Names and Synonyms

Synonyms

  • 5-(Butylthiomethyl)-5-isobutylbarbituric acid sodium salt
  • Sodium 5-(butylthiomethyl)-5-isobutylbarbiturate

Systematic Name

  • Barbituric acid, 5-(butylthiomethyl)-5-isobutyl-, sodium salt

Registry Numbers

CAS Registry Number

  • 67050-74-2

System Generated Number

  • 0067050742

Molecular Formulas

Molecular Formula

  • C13-H22-N2-O3-S.Na

Molecular Formula Fragments

  • C13-H22-N2-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C14H24N2O3S.Na/c1-5-6-7-20-9-14(8-10(2)3)11(17)15-13(19)16(4)12(14)18;/h10H,5-9H2,1-4H3,(H,15,17,19);/q;+1/p-1

InChIKey

LFHGOFISVFPORL-UHFFFAOYSA-M

Smiles

[Na+].CCCCSCC1(CC(C)C)C(=O)[N-]C(=O)N(C)C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 231, 1946.
rabbit LD50 intravenous 62mg/kg (62mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 244, 1946.