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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-02-21 17:15:10 UTC
HMDB IDHMDB0000786
Secondary Accession Numbers
  • HMDB00786
Metabolite Identification
Common NameOxypurinol
DescriptionOxypurinol, also known as oxoallopurinol or alloxanthine, 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. Oxypurinol is found, on average, in the highest concentration within beer. This could make oxypurinol a potential biomarker for the consumption of these foods. Oxypurinol is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Oxypurinol.
Structure
Data?1676999710
Synonyms
ValueSource
OxipurinolChEBI
OxoallopurinolChEBI
1H,3H,9H-AlloxanthineHMDB
1H-Pyrazolo[3,4-D]pyrimidin-4,6-diolHMDB
4,6-Dihydroxypyrazolo[3,4-D]pyrimidineHMDB
AlloxanthineHMDB
Chemical FormulaC5H4N4O2
Average Molecular Weight152.1109
Monoisotopic Molecular Weight152.033425392
IUPAC Name1H,2H,4H,5H,6H-pyrazolo[3,4-d]pyrimidine-4,6-dione
Traditional Nameoxypurinol
CAS Registry Number2465-59-0
SMILES
O=C1NC(=O)C2=CNNC2=N1
InChI Identifier
InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
InChI KeyHXNFUBHNUDHIGC-UHFFFAOYSA-N
Chemical Taxonomy
Description 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.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassImidazopyrimidines
Sub ClassPurines and purine derivatives
Direct ParentXanthines
Alternative Parents
Substituents
  • Xanthine
  • Pyrazolopyrimidine
  • Pyrazolo[3,4-d]pyrimidine
  • Alkaloid or derivatives
  • Pyrimidone
  • Pyrimidine
  • Azole
  • Pyrazole
  • Vinylogous amide
  • Heteroaromatic compound
  • Lactam
  • Azacycle
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point300 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-MetCCS_train_neg120.10330932474
[M+H]+MetCCS_train_pos126.68830932474
[M-H]-Not Available120.103http://allccs.zhulab.cn/database/detail?ID=AllCCS00000331
[M+H]+Not Available126.651http://allccs.zhulab.cn/database/detail?ID=AllCCS00000331
Predicted Molecular Properties
PropertyValueSource
Water Solubility4.58 g/LALOGPS
logP-2ALOGPS
logP-1.7ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)6.25ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area82.59 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity55.35 m³·mol⁻¹ChemAxon
Polarizability12.6 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+131.37831661259
DarkChem[M-H]-130.71531661259
AllCCS[M+H]+132.17532859911
AllCCS[M-H]-125.49632859911
DeepCCS[M+H]+127.17330932474
DeepCCS[M-H]-123.30830932474
DeepCCS[M-2H]-160.87930932474
DeepCCS[M+Na]+136.24430932474
AllCCS[M+H]+132.232859911
AllCCS[M+H-H2O]+127.532859911
AllCCS[M+NH4]+136.532859911
AllCCS[M+Na]+137.832859911
AllCCS[M-H]-125.532859911
AllCCS[M+Na-2H]-126.432859911
AllCCS[M+HCOO]-127.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
OxypurinolO=C1NC(=O)C2=CNNC2=N12783.7Standard polar33892256
OxypurinolO=C1NC(=O)C2=CNNC2=N11135.5Standard non polar33892256
OxypurinolO=C1NC(=O)C2=CNNC2=N12174.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Oxypurinol,1TMS,isomer #1C[Si](C)(C)N1C(=O)N=C2[NH][NH]C=C2C1=O1893.3Semi standard non polar33892256
Oxypurinol,1TMS,isomer #1C[Si](C)(C)N1C(=O)N=C2[NH][NH]C=C2C1=O2130.9Standard non polar33892256
Oxypurinol,1TMS,isomer #1C[Si](C)(C)N1C(=O)N=C2[NH][NH]C=C2C1=O2831.3Standard polar33892256
Oxypurinol,1TMS,isomer #2C[Si](C)(C)N1C=C2C(=NC(=O)[NH]C2=O)[NH]11893.3Semi standard non polar33892256
Oxypurinol,1TMS,isomer #2C[Si](C)(C)N1C=C2C(=NC(=O)[NH]C2=O)[NH]12002.8Standard non polar33892256
Oxypurinol,1TMS,isomer #2C[Si](C)(C)N1C=C2C(=NC(=O)[NH]C2=O)[NH]12722.0Standard polar33892256
Oxypurinol,1TMS,isomer #3C[Si](C)(C)N1[NH]C=C2C1=NC(=O)[NH]C2=O1735.2Semi standard non polar33892256
Oxypurinol,1TMS,isomer #3C[Si](C)(C)N1[NH]C=C2C1=NC(=O)[NH]C2=O1971.0Standard non polar33892256
Oxypurinol,1TMS,isomer #3C[Si](C)(C)N1[NH]C=C2C1=NC(=O)[NH]C2=O2761.0Standard polar33892256
Oxypurinol,2TMS,isomer #1C[Si](C)(C)N1[NH]C=C2C1=NC(=O)N([Si](C)(C)C)C2=O1834.6Semi standard non polar33892256
Oxypurinol,2TMS,isomer #1C[Si](C)(C)N1[NH]C=C2C1=NC(=O)N([Si](C)(C)C)C2=O2065.0Standard non polar33892256
Oxypurinol,2TMS,isomer #1C[Si](C)(C)N1[NH]C=C2C1=NC(=O)N([Si](C)(C)C)C2=O2486.2Standard polar33892256
Oxypurinol,2TMS,isomer #2C[Si](C)(C)N1C=C2C(=NC(=O)N([Si](C)(C)C)C2=O)[NH]11963.8Semi standard non polar33892256
Oxypurinol,2TMS,isomer #2C[Si](C)(C)N1C=C2C(=NC(=O)N([Si](C)(C)C)C2=O)[NH]12120.7Standard non polar33892256
Oxypurinol,2TMS,isomer #2C[Si](C)(C)N1C=C2C(=NC(=O)N([Si](C)(C)C)C2=O)[NH]12477.1Standard polar33892256
Oxypurinol,2TMS,isomer #3C[Si](C)(C)N1C=C2C(=NC(=O)[NH]C2=O)N1[Si](C)(C)C1886.3Semi standard non polar33892256
Oxypurinol,2TMS,isomer #3C[Si](C)(C)N1C=C2C(=NC(=O)[NH]C2=O)N1[Si](C)(C)C2139.3Standard non polar33892256
Oxypurinol,2TMS,isomer #3C[Si](C)(C)N1C=C2C(=NC(=O)[NH]C2=O)N1[Si](C)(C)C2546.0Standard polar33892256
Oxypurinol,3TMS,isomer #1C[Si](C)(C)N1C(=O)N=C2C(=CN([Si](C)(C)C)N2[Si](C)(C)C)C1=O1970.4Semi standard non polar33892256
Oxypurinol,3TMS,isomer #1C[Si](C)(C)N1C(=O)N=C2C(=CN([Si](C)(C)C)N2[Si](C)(C)C)C1=O2155.8Standard non polar33892256
Oxypurinol,3TMS,isomer #1C[Si](C)(C)N1C(=O)N=C2C(=CN([Si](C)(C)C)N2[Si](C)(C)C)C1=O2306.6Standard polar33892256
Oxypurinol,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C(=O)N=C2[NH][NH]C=C2C1=O2113.3Semi standard non polar33892256
Oxypurinol,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C(=O)N=C2[NH][NH]C=C2C1=O2331.9Standard non polar33892256
Oxypurinol,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C(=O)N=C2[NH][NH]C=C2C1=O2827.8Standard polar33892256
Oxypurinol,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C=C2C(=NC(=O)[NH]C2=O)[NH]12132.1Semi standard non polar33892256
Oxypurinol,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C=C2C(=NC(=O)[NH]C2=O)[NH]12228.5Standard non polar33892256
Oxypurinol,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C=C2C(=NC(=O)[NH]C2=O)[NH]12767.6Standard polar33892256
Oxypurinol,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1[NH]C=C2C1=NC(=O)[NH]C2=O2005.5Semi standard non polar33892256
Oxypurinol,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1[NH]C=C2C1=NC(=O)[NH]C2=O2203.0Standard non polar33892256
Oxypurinol,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1[NH]C=C2C1=NC(=O)[NH]C2=O2752.1Standard polar33892256
Oxypurinol,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1[NH]C=C2C1=NC(=O)N([Si](C)(C)C(C)(C)C)C2=O2273.1Semi standard non polar33892256
Oxypurinol,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1[NH]C=C2C1=NC(=O)N([Si](C)(C)C(C)(C)C)C2=O2444.2Standard non polar33892256
Oxypurinol,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1[NH]C=C2C1=NC(=O)N([Si](C)(C)C(C)(C)C)C2=O2506.9Standard polar33892256
Oxypurinol,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C=C2C(=NC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[NH]12348.9Semi standard non polar33892256
Oxypurinol,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C=C2C(=NC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[NH]12504.2Standard non polar33892256
Oxypurinol,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C=C2C(=NC(=O)N([Si](C)(C)C(C)(C)C)C2=O)[NH]12532.1Standard polar33892256
Oxypurinol,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C=C2C(=NC(=O)[NH]C2=O)N1[Si](C)(C)C(C)(C)C2273.4Semi standard non polar33892256
Oxypurinol,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C=C2C(=NC(=O)[NH]C2=O)N1[Si](C)(C)C(C)(C)C2573.8Standard non polar33892256
Oxypurinol,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C=C2C(=NC(=O)[NH]C2=O)N1[Si](C)(C)C(C)(C)C2557.5Standard polar33892256
Oxypurinol,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C(=O)N=C2C(=CN([Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)C1=O2511.4Semi standard non polar33892256
Oxypurinol,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C(=O)N=C2C(=CN([Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)C1=O2741.5Standard non polar33892256
Oxypurinol,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C(=O)N=C2C(=CN([Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)C1=O2518.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Oxypurinol GC-MS (Non-derivatized) - 70eV, Positivesplash10-0zn9-4900000000-837f8f7de41a018a78682017-08-28Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxypurinol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oxypurinol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-0w29-4900000000-2b2a5e7237cb7a9dd60e2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-0ab9-9700000000-8017eefe2f766f6a33822012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-0690-9100000000-b997025b96b7398143d22012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive-QTOFsplash10-0f79-0900000000-3de88a143c5683886f8d2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative-QTOFsplash10-0udi-0900000000-cbc9adb0643d1712be572012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol LC-ESI-QTOF , negative-QTOFsplash10-0udi-0900000000-cbc9adb0643d1712be572017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol LC-ESI-QTOF , positive-QTOFsplash10-0f79-0900000000-3de88a143c5683886f8d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol 30V, Negative-QTOFsplash10-0006-9000000000-3ce669d763865167a4022021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol 20V, Negative-QTOFsplash10-0006-9300000000-e36d8a77fa2e2a31b5432021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol 40V, Negative-QTOFsplash10-0006-9000000000-275c9502306d49a7f8872021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol 40V, Positive-QTOFsplash10-0udi-9000000000-f55bc1d37afe8f28c3542021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol 30V, Positive-QTOFsplash10-0udr-9700000000-bd486884d4915c23b1a52021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol 90V, Negative-QTOFsplash10-066r-9700000000-c8f39d076fdf79f2bd282021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol 10V, Negative-QTOFsplash10-0udi-2900000000-c55a17ac9c4a712652a12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol 0V, Positive-QTOFsplash10-0udi-0900000000-048462704a3cd891924f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol 45V, Negative-QTOFsplash10-0udi-0900000000-09b723a1bae058dd1de62021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol 10V, Positive-QTOFsplash10-0udr-0900000000-7b5346a657416f2ca8aa2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol 30V, Positive-QTOFsplash10-0udi-9000000000-514523b07285f885cc272021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Oxypurinol 75V, Negative-QTOFsplash10-0zfr-2900000000-6b3927234159e81b70b72021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxypurinol 10V, Positive-QTOFsplash10-0udi-0900000000-ca8f6a9e71c7b2514f302017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxypurinol 20V, Positive-QTOFsplash10-0udi-0900000000-2f457108cc7fec8527512017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxypurinol 40V, Positive-QTOFsplash10-000i-5900000000-9d5c31601c46aa2e8eb62017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxypurinol 10V, Negative-QTOFsplash10-0udi-2900000000-a2f008eef4b535546f4f2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxypurinol 20V, Negative-QTOFsplash10-0udl-7900000000-03e71b25e9d15486d84e2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oxypurinol 40V, Negative-QTOFsplash10-0006-9100000000-c14d58288520ea2b76422017-07-26Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, 100%_DMSO, experimental)2012-12-05Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified50.0 (0.5-100.0) uMAdult (>18 years old)BothNormal details
UrineDetected and Quantified19-37 umol/mmol creatinineNewborn (0-30 days old)Both
Normal
details
UrineDetected and Quantified13.3 (5.1-29.3) umol/mmol creatinineAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified3.29 umol/mmol creatinineAdult (>18 years old)Male
Normal
    • Shaykhutdinov RA,...
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB05262
Phenol Explorer Compound IDNot Available
FooDB IDFDB022242
KNApSAcK IDC00052376
Chemspider ID4483
KEGG Compound IDC07599
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkOxypurinol
METLIN ID5752
PubChem Compound4644
PDB IDNot Available
ChEBI ID28315
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceBoudet Nadege; Knochel Paul Chemo- and regioselective functionalization of uracil derivatives. Applications to the synthesis of oxypurinol and emivirine. Organic letters (2006), 8(17), 3737-40.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Kojima T, Nishina T, Kitamura M, Hosoya T, Nishioka K: Biochemical studies on the purine metabolism of four cases with hereditary xanthinuria. Clin Chim Acta. 1984 Feb 28;137(2):189-98. [PubMed:6423323 ]
  2. Authors unspecified: Oxipurinol: alloxanthine, Oxyprim, oxypurinol. Drugs R D. 2004;5(3):171-5. [PubMed:15139781 ]