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Substance Name: Barbituric acid, 5-(1-cyclohexenyl)-1,5-dimethyl-2-thio-, sodium salt
RN: 66940-52-1
InChIKey: XOTUKJIPPYHTQV-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-N2-O2-S.Na

Molecular Weight

  • 274.319
 
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Names and Synonyms

Synonyms

  • 1,5-Dimethyl-5-(1-cyclohexenyl)-2-thiobarbituric acid sodium salt
  • 5-(1-Cyclohexenyl)-1,5-dimethyl-2-thiobarbituric acid sodium salt

Systematic Name

  • Barbituric acid, 5-(1-cyclohexenyl)-1,5-dimethyl-2-thio-, sodium salt

Registry Numbers

CAS Registry Number

  • 66940-52-1

System Generated Number

  • 0066940521

Molecular Formulas

Molecular Formula

  • C12-H16-N2-O2-S.Na

Molecular Formula Fragments

  • C12-H16-N2-O2-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H16N2O2S.Na/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16;/h6H,3-5,7H2,1-2H3,(H,13,15,17);/q;+1/p-1

InChIKey

XOTUKJIPPYHTQV-UHFFFAOYSA-M

Smiles

C=1([C@@]2(C(N(C(=S)[NH-]C2=O)C)=O)C)CCCCC1.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Journal of Organic Chemistry. Vol. 5, Pg. 238, 1940.