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Substance Name: Xanthine, monosodium salt
RN: 1196-43-6
InChIKey: HKDXLLDCXWUUKY-UHFFFAOYSA-M

Note

  • A purine base found in most body tissues and fluids, certain plants, and some urinary calculi. It is an intermediate in the degradation of adenosine monophosphate to uric acid, being formed by oxidation of hypoxanthine. The methylated xanthine compounds caffeine, theobromine, and theophylline and their derivatives are used in medicine for their bronchodilator effects. (Dorland, 28th ed)

Molecular Formula

  • C5-H4-N4-O2.Na

Molecular Weight

  • 174.095
 
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Names and Synonyms

Synonym

  • Xanthine sodium salt

Systematic Name

  • Xanthine, monosodium salt

Registry Numbers

CAS Registry Number

  • 1196-43-6

System Generated Number

  • 0001196436

Molecular Formulas

Molecular Formula

  • C5-H4-N4-O2.Na

Molecular Formula Fragments

  • C5-H4-N4-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C5H4N4O2.Na/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H3,6,7,8,9,10,11);/q;+1/p-1

InChIKey

HKDXLLDCXWUUKY-UHFFFAOYSA-M

Smiles

[Na+].[n-]1cnc2[nH]c([nH]c(c12)=O)=O