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Substance Name: Barbituric acid, 5-sec-butyl-5-(butylthiomethyl)-, sodium salt
RN: 67050-23-1
InChIKey: MDGABSLUSUJQKQ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-N2-O3-S.Na

Molecular Weight

  • 308.376
 
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Names and Synonyms

Synonyms

  • 5-sec-Butyl-5-(butylthiomethyl)barbituric acid sodium salt
  • Sodium 5-sec-butyl-5-(butylthiomethyl)barbiturate

Systematic Name

  • Barbituric acid, 5-sec-butyl-5-(butylthiomethyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 67050-23-1

System Generated Number

  • 0067050231

Molecular Formulas

Molecular Formula

  • C13-H22-N2-O3-S.Na

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C13H22N2O3S.Na/c1-4-6-7-19-8-13(9(3)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

MDGABSLUSUJQKQ-UHFFFAOYSA-M

Smiles

C1([C@@](C(N=C(N1)[O-])=O)([C@@H](CC)C)CSCCCC)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 244mg/kg (244mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 231, 1946.
rabbit LD50 intravenous 44mg/kg (44mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 244, 1946.