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Substance Name: Barbituric acid, 5-allyl-5-ethyl-, sodium salt
RN: 66941-68-2
InChIKey: XCMCNJZZRBHHBX-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-N2-O3.Na

Molecular Weight

  • 218.187
 
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Names and Synonyms

Synonym

  • 5-Allyl-5-ethylbarbituric acid sodium salt

Systematic Name

  • Barbituric acid, 5-allyl-5-ethyl-, sodium salt

Registry Numbers

CAS Registry Number

  • 66941-68-2

System Generated Number

  • 0066941682

Molecular Formulas

Molecular Formula

  • C9-H12-N2-O3.Na

Molecular Formula Fragments

  • C9-H12-N2-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C9H12N2O3.Na/c1-3-5-9(4-2)6(12)10-8(14)11-7(9)13;/h3H,1,4-5H2,2H3,(H2,10,11,12,13,14);/q;+1/p-1

InChIKey

XCMCNJZZRBHHBX-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo subcutaneous 180mg/kg (180mg/kg)   Journal of the American Chemical Society. Vol. 47, Pg. 2236, 1925.