Xanthinol

Xanthinol is a drug prepared from theophylline used as a vasodilator.[1] It is most often used as the salt with niacin (nicotinic acid), known as xantinol nicotinate.[2]

Xanthinol
Clinical data
ATC code
  • none
Identifiers
IUPAC name
  • 7-[2-hydroxy-3-(2-hydroxyethyl-methylamino)propyl]-1,3-dimethylpurine-2,6-dione
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
CompTox Dashboard (EPA)
Chemical and physical data
FormulaC13H21N5O4
Molar mass311.342 g·mol−1
3D model (JSmol)
SMILES
  • O=C2N(c1ncn(c1C(=O)N2C)CC(O)CN(CCO)C)C
InChI
  • InChI=1S/C13H21N5O4/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2/h8-9,19-20H,4-7H2,1-3H3 N
  • Key:DSFGXPJYDCSWTA-UHFFFAOYSA-N N
 NY (what is this?)  (verify)

References
  1. 3-(Theophyllyl-7)-1-(N-methyl-N-hydroxyethyl)amino-2-propanol. Yokoyama, Matatsugu; Kawano, Shigeharu. (1963) Japanese Patent 38020588
  2. Xanthinol niacinate at cancerweb.ncl.ac.uk
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