141

Oxypurinol

Created: 2001-08-21
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count15
Chiral Atom Count0
Bond Count16
Aromatic Bond Count0
2D diagram of 141
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Chemical Component Summary

NameOxypurinol
SynonymsAlloxanthine
Systematic Name (OpenEye OEToolkits)1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione
FormulaC5 H4 N4 O2
Molecular Weight152.111
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C1N=C2C(C(=O)N1)=CNN2
SMILESCACTVS3.385O=C1NC(=O)C2=CNNC2=N1
SMILESOpenEye OEToolkits1.7.6C1=C2C(=NC(=O)NC2=O)NN1
Canonical SMILESCACTVS3.385 O=C1NC(=O)C2=CNNC2=N1
Canonical SMILESOpenEye OEToolkits1.7.6 C1=C2C(=NC(=O)NC2=O)NN1
InChIInChI1.03 InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
InChIKeyInChI1.03 HXNFUBHNUDHIGC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB05262 
NameOxypurinol
Groups investigational
DescriptionOxypurinol, an inhibitor of xanthine oxidase, is a metabolite of allopurinol.
Synonyms
  • Oxipurinol
  • Oxoallopurinol
  • 1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
  • Oxipurinolum
  • Ossipurinolo
IndicationIntended for the treatment of congestive heart failure and hyperuricemia.
Categories
  • Enzyme Inhibitors
  • Pyrazoles
  • Pyrimidines
  • Xanthine Oxidase Inhibitors
CAS number2465-59-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Xanthine dehydrogenase/oxidaseMTADKLVFFVNGRKVVEKNADPETTLLAYLRRKLGLSGTKLGCGEGGCGA...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL859
PubChem 135398752, 5273533, 4644
ChEMBL CHEMBL859
ChEBI CHEBI:28315