Xanthinol

Xanthinol is a drug prepared from theophylline used as a vasodilator.[1][2] It is most often used as the salt with niacin (nicotinic acid), known as xanthinol nicotinate.[3]

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. JA 38020588, Yokoyama M, Kawano S, "3-(Theophyllyl-7)-1-(N-methyl-N-hydroxyethyl)amino-2-propanol.", published 1963
  2. Morton IK, Hall JM (1999). Concise dictionary of pharmacological agents : properties and synonyms. Boston: Kluwer Academic. p. 294. ISBN 978-0-7514-0499-9.
  3. "Xanthinol niacinate]". cancerweb.ncl.ac.uk.
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