Compound: Oxypurinol
SMILES: O=c1nc-2[nH][nH]cc2c([nH]1)=O
InChIKey: HXNFUBHNUDHIGC-UHFFFAOYSA-N
Synonyms: Oxypurinol, 2465-59-0, Oxipurinol, 1H-Pyrazolo[3,4-d]pyrimidine-4,6-diol, Alloxanthine, Oxoallopurinol, DHPP, 1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, NSC-76239, Ossipurinolo, Oxipurinolum, DTXSID4035209, CHEBI:28315, 1H-Pyrazolo(3,4-d)pyrimidine-4,6-diol, G97OZE5068, 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione, 1H-Pyrazolo(3,4-d)pyrimidine,4,6(5H,7H)-dione, 1H-PYRAZOLO(3,4-D)PYRIMIDINE-4,6(5H,7H)-DIONE, DTXCID2015209, 1,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione, NSC76239, 1H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione, 1,2-dihydropyrazolo(3,4-d)pyrimidine-4,6-dione, 1,7-dihydropyrazolo(3,4-d)pyrimidine-4,6-dione, 1H,4H,5H,6H,7H-pyrazolo(3,4-d)pyrimidine-4,6-dione, RefChem:169085, 219-570-9, 4,6-Dihydroxypyrazolo[3,4-d]pyrimidine, 184764-63-4, 1H-Pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione, 2H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 187486-05-1, Oxypurinol [USAN], 187486-06-2, BW 555, B. W. 55-5, MFCD00056934, Oxipurinol [INN], BW 55-5, 1H,3H,9H-Alloxanthine, MFCD00047205, 4,6-Dihydroxypyrazolo(3,4-d)pyrimidine, 4,6-Dihydroxy-1H-pyrazolo[3,4-d]pyrimidine, 4H-Pyrazolo[3,4-d]pyrimidin-4-one,  1,2-dihydro-6-hydroxy-, Oxipurinol (INN), Oxypurinol (USAN), 1H-Pyrazolo[3,4-d]Pyrimidin-4,6-diol, Alloxanthin (VAN), 2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione, Ossipurinolo [DCIT], 1,7-Dihydro-4h-pyrazolo[3,4-d]pyrimidine-4,6(5h)-dione, Oxipurinolum [INN-Latin], SMR000471889, EINECS 219-570-9, NSC 76239, EPA Pesticide Chemical Code 447509, UNII-G97OZE5068, AI3-50432, 1H-Pyrazolo(3,4-d)pyrimidine, 4,6(5H,7H)-dione, 6-Hydroxy allopurinol, Oxypurinol (Standard), 1H-Pyrazolo[3,6-diol, CHEMBL859, Epitope ID:226981, OXIPURINOL [WHO-DD], SCHEMBL39154, SCHEMBL49280, SCHEMBL49281, MLS001332657, MLS001332658, Oxypurinol, analytical standard, orb1307722, orb3141356, SCHEMBL1438699, SCHEMBL2017937, SCHEMBL2077651, SCHEMBL8256426, SCHEMBL8256749, SCHEMBL8256863, SCHEMBL8257647, SCHEMBL8258215, SCHEMBL8258318, SCHEMBL8258418, SCHEMBL8260172, Oxypurinol, >=98% (HPLC), 4h-pyrazolo[3,4-d]pyrimidin-4-one,1,2-dihydro-6-hydroxy-, HMS2234G23, HMS3373G16, MSK10378, 1H-Pyrazolo[3,6(5H,7H)-dione, Oxypurinol 100 microg/mL in Water, Tox21_301220, BDBM50423777, EBC-06187, HY-19657R, SBB081955, pyrazolo[5,4-d]pyrimidine-4,6-diol, AKOS002337397, AKOS005166855, AKOS022171676, AB02032, CCG-321461, DB05262, FD00465, 1H-Pyrazolo[3, 4,6(5H,7H)-dione, NCGC00247052-01, NCGC00255415-01, BP-30013, DA-76514, DS-14873, HY-19657, SY009072, 6-Hydroxypyrazolo[3,4-d]pyrimidin-4-one, CAS-2465-59-0, DB-065490, DB-261137, CS-0016170, NS00006655, ST50824307, C07599, D02365, EN300-1268328, 1,2-dihydropyrazolo[4,3-e]pyrimidine-4,6-dione, 5,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione, F793773, Q410588, 2h-pyrazolo-[3,4-d]pyrimidine-4,6-(5h,7h)-dione, BRD-K31841515-001-07-8, 1H,2H,4H,5H,6H-pyrazolo[3,4-d]pyrimidine-4,6-dione, Z3015154132, 1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidine-4,6(5H)-dione, 4,5,6,7-tetrahydro-4,6-dioxo-pyrazolo-[3,4-d]-pyrimidine, 6-Hydroxy-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one #
Theoretical properties:
molecular_formula: C5H4N4O2
molecular_weight: 152.11 g/mol
exact_mass: 152.03342538 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 11
topological_polar_surface_area: 86.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 300 °C
Descriptions:
pubchem: Alloxanthine is a pyrazolopyrimidine that is 4,5,6,7-tetrahydro-H-pyrazolo[3,4-d]pyrimidine substituted by oxo groups at positions 4 and 6. It has a role as an EC 1.17.3.2 (xanthine oxidase) inhibitor and a drug metabolite.
chebi: A  pyrazolopyrimidine that is 4,5,6,7-tetrahydro-<em>H</em>-pyrazolo[3,4-<em>d</em>]pyrimidine substituted by oxo groups at positions 4 and 6.
chembl: OXYPURINOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Oxipurinol (INN, or oxypurinol USAN) is an inhibitor of xanthine oxidase. It is an active metabolite of allopurinol and it is cleared renally. In cases of renal disease, this metabolite will accumulate to toxic levels. By inhibiting xanthine oxidase, it reduces uric acid production. High serum uric acid levels may result in gout, kidney stones, and other medical conditions.