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Substance Name: Barbituric acid, 1-allyl-5-ethyl-5-isopentyl-2-thio-, sodium salt
RN: 66941-64-8
InChIKey: HFGBXKBVRWDICP-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-N2-O2-S.Na

Molecular Weight

  • 304.388
 
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Names and Synonyms

Synonym

  • 1-Allyl-5-ethyl-5-isopentyl-2-thiobarbituric acid

Systematic Name

  • Barbituric acid, 1-allyl-5-ethyl-5-isopentyl-2-thio-, sodium salt

Registry Numbers

CAS Registry Number

  • 66941-64-8

System Generated Number

  • 0066941648

Molecular Formulas

Molecular Formula

  • C14-H22-N2-O2-S.Na

Molecular Formula Fragments

  • C14-H22-N2-O2-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C14H22N2O2S.Na/c1-5-9-16-12(18)14(6-2,8-7-10(3)4)11(17)15-13(16)19;/h5,10H,1,6-9H2,2-4H3,(H,15,17,19);/q;+1/p-1

InChIKey

HFGBXKBVRWDICP-UHFFFAOYSA-M

Smiles

C1([C@@](C(N=C(N1CC=C)[S-])=O)(CCC(C)C)CC)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Journal of Organic Chemistry. Vol. 5, Pg. 238, 1940.