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Substance Name: Barbituric acid, 5-ethyl-5-(hexyn-1-yl)-, sodium salt
ID: CQ49250000
InChIKey: XFQITQUATGSWRC-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-N2-O3.Na

Molecular Weight

  • 258.2515
 
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Names and Synonyms

Synonyms

  • 5-Ethyl-5-(hexyn-1-yl)barbituric acid sodium salt
  • Sodium 5-ethyl-5-(hexyn-1-yl)barbiturate

Systematic Name

  • Barbituric acid, 5-ethyl-5-(hexyn-1-yl)-, sodium salt

Registry Numbers

ID Number

  • NIOSH/CQ4925000

System Generated Number

  • CQ49250000

Molecular Formulas

Molecular Formula

  • C12-H15-N2-O3.Na

Molecular Formula Fragments

  • C12-H15-N2-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H16N2O3.Na/c1-3-5-6-7-8-12(4-2)9(15)13-11(17)14-10(12)16;/h3-6H2,1-2H3,(H2,13,14,15,16,17);/q;+1/p-1

InChIKey

XFQITQUATGSWRC-UHFFFAOYSA-M

Smiles

[Na+].CCCCC#CC1(CC)C(=O)NC(=NC1=O)[O-]