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Substance Name: Barbituric acid, 5-butyl-5-(butylthiomethyl)-, sodium salt
RN: 67050-24-2
InChIKey: DZVRADPLBYXDOQ-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-Butyl-5-(butylthiomethyl)barbituric acid sodium salt
  • Sodium 5-butyl-5-(butylthiomethyl)barbiturate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67050-24-2

System Generated Number

  • 0067050242

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/c1-3-5-7-13(9-19-8-6-4-2)10(16)14-12(18)15-11(13)17;/h3-9H2,1-2H3,(H2,14,15,16,17,18);/q;+1/p-1

InChIKey

DZVRADPLBYXDOQ-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 268mg/kg (268mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 231, 1946.
rabbit LD50 intravenous 60mg/kg (60mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 244, 1946.
rat LD50 intravenous 90mg/kg (90mg/kg) BEHAVIORAL: ANTICONVULSANT Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 343, 1946.