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Substance Name: Barbituric acid, 5-allyl-5-(2-(butylthio)ethyl)-2-thio-, sodium salt
RN: 66941-57-9
InChIKey: PLMIYQIGIGUUOF-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-N2-O2-S2.Na

Molecular Weight

  • 322.427
 
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Names and Synonyms

Synonyms

  • 5-Allyl-5-(2-(butylthio)ethyl)-2-thiobarbituric acid sodium salt
  • Sodium 5-allyl-5-(2-(butylthio)ethyl)-2-thiobarbiturate

Systematic Name

  • Barbituric acid, 5-allyl-5-(2-(butylthio)ethyl)-2-thio-, sodium salt

Registry Numbers

CAS Registry Number

  • 66941-57-9

System Generated Number

  • 0066941579

Molecular Formulas

Molecular Formula

  • C13-H20-N2-O2-S2.Na

Molecular Formula Fragments

  • C13-H20-N2-O2-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C13H20N2O2S2.Na/c1-3-5-8-19-9-7-13(6-4-2)10(16)14-12(18)15-11(13)17;/h4H,2-3,5-9H2,1H3,(H2,14,15,16,17,18);/q;+1/p-1

InChIKey

PLMIYQIGIGUUOF-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 intravenous 60mg/kg (60mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 244, 1946.
rat LD50 intravenous 120mg/kg (120mg/kg) BEHAVIORAL: ANTICONVULSANT Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 343, 1946.
rat LD50 oral 1453mg/kg (1453mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 231, 1946.