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Substance Name: Barbituric acid, 5-isopentyl-5-(2-propynyl)-, sodium salt
ID: CQ70757000
InChIKey: JVINCHKXZVRLMO-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-N2-O3.Na

Molecular Weight

  • 258.2515
 
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Names and Synonyms

Synonyms

  • 5-Isopentyl-5-(2-propynyl)barbituric acid sodium salt
  • Isoamyl propargylbarbituric acid sodium salt

Systematic Name

  • Barbituric acid, 5-isopentyl-5-(2-propynyl)-, sodium salt

Registry Numbers

ID Number

  • NIOSH/CQ7075700

System Generated Number

  • CQ70757000

Molecular Formulas

Molecular Formula

  • C12-H16-N2-O3.Na

Molecular Formula Fragments

  • C12-H16-N2-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C12H16N2O3.Na/c1-4-6-12(7-5-8(2)3)9(15)13-11(17)14-10(12)16;/h1,8H,5-7H2,2-3H3,(H2,13,14,15,16,17);/q;+1/p-1

InChIKey

JVINCHKXZVRLMO-UHFFFAOYSA-M

Smiles

[Na+].CC(C)CCC1(CC#C)C(=O)NC(=NC1=O)[O-]