1.0 2016-06-03 10:04:07 UTC 2026-08-19 02:25:21 UTC xanthinol SmallMolecule Xanthinol is an organic compound with the chemical formula C13H21N5O4 and an average molecular weight of 311.34 g/mol. It is classified as an organoheterocyclic compound. Specifically, xanthinol belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. The compound is found in or released from six recorded sources. These include healthcare, pharmaceuticals, and veterinary products, where it is used as a peripheral vasodilator. It is also associated with electrical and electronic equipment, specifically electrically stimulated smoking devices, as well as household cleaning and consumer products such as perfumes within detergents and soaps, non-electric simulated smoking devices, and tobacco smoke filters. Additionally, it is present in indoor air, dust, and atmospheric transport. Recorded routes of exposure for xanthinol include oral and inhalation. In terms of biological activity, xanthinol interacts with six recorded protein targets. It serves as a binder or cofactor for the large ribosomal subunit protein uL3 (RPL3) and the mitochondrial NAD(P) transhydrogenase (NNT). Other protein targets include glyceraldehyde-3-phosphate dehydrogenase (GAPDH), the mitochondrial isocitrate dehydrogenase [NAD] subunit alpha (IDH3A), and two other proteins. C13H21N5O4 311.342 311.159354176 7-{2-hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione xanthinol 2530-97-4 CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C 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 DSFGXPJYDCSWTA-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Xanthines 1,2-aminoalcohols 6-oxopurines Alkaloids and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Lactams N-substituted imidazoles Organic oxides Organopnictogen compounds Primary alcohols Pyrimidones Secondary alcohols Trialkylamines Ureas Vinylogous amides 1,2-aminoalcohol 6-oxopurine Alcohol Alkaloid or derivatives Alkanolamine Amine Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Imidazole Lactam N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Purinone Pyrimidine Pyrimidone Secondary alcohol Tertiary aliphatic amine Tertiary amine Urea Vinylogous amide Xanthine Aromatic heteropolycyclic compounds Detected and Not Quantified Xanthinol Drug Metabolism Action Pathway SMP0144304 logp -1.8 logp -1.01 ALOGPS logs -1.25 ALOGPS solubility 1.73e+01 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 14.38 ChemAxon pka_strongest_basic 8.86 ChemAxon iupac 7-{2-hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione ChemAxon average_mass 311.342 ChemAxon mono_mass 311.159354176 ChemAxon smiles CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C ChemAxon formula C13H21N5O4 ChemAxon 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 ChemAxon inchikey DSFGXPJYDCSWTA-UHFFFAOYSA-N ChemAxon polar_surface_area 102.14 ChemAxon refractivity 80.11 ChemAxon polarizability 31.95 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7263994c60> DB09092 9913 9526 BE0003833 BE0000008 BE0000542 BE0000011 BE0000162 BE0000780