Xanthinol

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	2530-97-4 ;
PubChem CID	9913;
DrugBank	1 ;
ChemSpider	9526 ;
CompTox Dashboard (EPA)	DTXSID1048255 ;
Chemical and physical data
Formula	C13H21N5O4
Molar mass	311.33 g/mol g·mol−1
3D model (JSmol)	Interactive image;
	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 ; Key:DSFGXPJYDCSWTA-UHFFFAOYSA-N ;
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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]

References

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

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