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Substance Name: Barbituric acid, 5-allyl-5-(butylthiomethyl)-, sodium salt
RN: 66941-59-1
InChIKey: PDXROGLNPIGFLI-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N2-O3-S.Na

Molecular Weight

  • 292.333
 
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Names and Synonyms

Synonyms

  • 5-Allyl-5-(butylthiomethyl)barbituric acid sodium salt
  • Sodium 5-allyl-5-(butylthiomethyl)barbiturate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66941-59-1

System Generated Number

  • 0066941591

Molecular Formulas

Molecular Formula

  • C12-H18-N2-O3-S.Na

Molecular Formula Fragments

  • C12-H18-N2-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H18N2O3S.Na/c1-3-5-7-18-8-12(6-4-2)9(15)13-11(17)14-10(12)16;/h4H,2-3,5-8H2,1H3,(H2,13,14,15,16,17);/q;+1/p-1

InChIKey

PDXROGLNPIGFLI-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 194mg/kg (194mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 231, 1946.
rabbit LD50 intravenous 47mg/kg (47mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 244, 1946.
rat LD50 intravenous 100mg/kg (100mg/kg) BEHAVIORAL: ANTICONVULSANT Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 343, 1946.