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Substance Name: Barbituric acid, 5-(2-butenyl)-5-sec-butyl-2-thio-, sodium salt
RN: 67049-99-4
InChIKey: YTTXUGLDMJIMRB-CVDVRWGVSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N2-O2-S.Na

Molecular Weight

  • 276.334
 
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Names and Synonyms

Synonym

  • 5-(2-Butenyl)-5-sec-butyl-2-thiobarbituric acid sodium salt

Systematic Name

  • Barbituric acid, 5-(2-butenyl)-5-sec-butyl-2-thio-, sodium salt

Registry Numbers

CAS Registry Number

  • 67049-99-4

System Generated Number

  • 0067049994

Molecular Formulas

Molecular Formula

  • C12-H18-N2-O2-S.Na

Molecular Formula Fragments

  • C12-H18-N2-O2-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H18N2O2S.Na/c1-4-6-7-12(8(3)5-2)9(15)13-11(17)14-10(12)16;/h4,6,8H,5,7H2,1-3H3,(H2,13,14,15,16,17);/q;+1/p-1/b6-4+;

InChIKey

YTTXUGLDMJIMRB-CVDVRWGVSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 intravenous 53mg/kg (53mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 34, Pg. 183, 1945.
rat LD50 intraperitoneal 261mg/kg (261mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 34, Pg. 183, 1945.