1.0 2011-09-21 00:10:46 UTC 2025-11-19 02:41:13 UTC FDB022242 Oxypurinol Oxipurinol is a xanthine oxidase inhibitor. Oxipurinol is potentially used for treatment of congestive heart failure. PMID: 15139781 [HMDB] 1H-Pyrazolo[3,4-d]pyrimidin-4,6-diol 1H,3H,9H-Alloxanthine 4,6-Dihydroxypyrazolo[3,4-d]pyrimidine Alloxanthine Oxipurinol Oxoallopurinol C5H4N4O2 152.1109 152.033425392 1H,2H,4H,5H,6H-pyrazolo[3,4-d]pyrimidine-4,6-dione oxypurinol 2465-59-0 O=C1NC(=O)C2=CNNC2=N1 InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11) HXNFUBHNUDHIGC-UHFFFAOYSA-N belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. Xanthines Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Aromatic heteropolycyclic compounds Alkaloids and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyrazoles Pyrazolo[3,4-d]pyrimidines Pyrimidones Vinylogous amides Alkaloid or derivatives Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrazole Pyrazolo[3,4-d]pyrimidine Pyrazolopyrimidine Pyrimidine Pyrimidone Vinylogous amide Xanthine C40 isoprenoids (tetraterpenes) pyrazolopyrimidine Solid logp -2.01 ALOGPS logs -1.82 ALOGPS solubility 2.32e+00 g/l ALOGPS logp -1.7 ChemAxon pka_strongest_acidic 6.25 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 1H,2H,4H,5H,6H-pyrazolo[3,4-d]pyrimidine-4,6-dione ChemAxon average_mass 152.1109 ChemAxon mono_mass 152.033425392 ChemAxon smiles O=C1NC(=O)C2=CNNC2=N1 ChemAxon formula C5H4N4O2 ChemAxon inchi InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11) ChemAxon inchikey HXNFUBHNUDHIGC-UHFFFAOYSA-N ChemAxon polar_surface_area 82.59 ChemAxon refractivity 55.35 ChemAxon polarizability 12.6 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 858 Specdb::MsIr 859 Specdb::MsIr 860 Specdb::NmrTwoD 1486 Specdb::CMs 7372 Specdb::CMs 136102 Specdb::CMs 143836 Specdb::NmrOneD 1541 Specdb::NmrOneD 20802 Specdb::NmrOneD 20803 Specdb::NmrOneD 20804 Specdb::NmrOneD 20805 Specdb::NmrOneD 20806 Specdb::NmrOneD 20807 Specdb::NmrOneD 20808 Specdb::NmrOneD 20809 Specdb::NmrOneD 20810 Specdb::NmrOneD 20811 Specdb::NmrOneD 20812 Specdb::NmrOneD 20813 Specdb::NmrOneD 20814 Specdb::NmrOneD 20815 Specdb::NmrOneD 20816 Specdb::NmrOneD 20817 Specdb::NmrOneD 20818 Specdb::NmrOneD 20819 Specdb::NmrOneD 20820 Specdb::NmrOneD 20821 Specdb::MsMs 1122 Specdb::MsMs 1123 Specdb::MsMs 1124 Specdb::MsMs 4669 Specdb::MsMs 4670 Specdb::MsMs 253278 Specdb::MsMs 253279 Specdb::MsMs 253280 Specdb::MsMs 273219 Specdb::MsMs 273220 Specdb::MsMs 273221 Specdb::MsMs 439245 Specdb::MsMs 448182 Specdb::MsMs 2226996 Specdb::MsMs 2227704 Specdb::MsMs 2229428 Specdb::MsMs 2231107 Specdb::MsMs 2233117 Specdb::MsMs 2234135 Specdb::MsMs 2234812 Specdb::MsMs 2252358 Specdb::MsMs 2253517 Specdb::MsMs 2254115 Specdb::MsMs 2254465 Specdb::MsMs 2255005 HMDB00786 #<Reference:0x000055ce32de1628> #<Reference:0x000055ce32de11f0> Beer Type 2 specific 0.1515 0.173 0.13 mg/100 g