| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:38 UTC |
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| Update date | 2017-01-19 02:36:23 UTC |
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| FoodComEx ID | PC000427 |
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| FoodDB Record | FDB022242 |
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| Chemical Information |
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| Name | Oxypurinol |
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| Description | Oxipurinol is a xanthine oxidase inhibitor. Oxipurinol is potentially used for treatment of congestive heart failure.
PMID: 15139781 [HMDB] |
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| CAS Number | 2465-59-0 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1H-Pyrazolo[3,4-d]pyrimidin-4,6-diol | hmdb | | 1H,3H,9H-Alloxanthine | hmdb | | 4,6-Dihydroxypyrazolo[3,4-d]pyrimidine | hmdb | | Alloxanthine | hmdb | | Oxipurinol | hmdb | | Oxoallopurinol | hmdb |
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| Chemical Formula | C5H4N4O2 |
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| IUPAC name | 1H,2H,4H,5H,6H-pyrazolo[3,4-d]pyrimidine-4,6-dione |
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| 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) |
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| InChI Key | HXNFUBHNUDHIGC-UHFFFAOYSA-N |
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| Isomeric SMILES | O=C1NC(=O)C2=CNNC2=N1 |
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| Average Molecular Weight | 152.1109 |
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| Monoisotopic Molecular Weight | 152.033425392 |
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| Chemical Taxonomy |
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| 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. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Imidazopyrimidines |
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| Sub Class | Purines and purine derivatives |
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| Direct Parent | Xanthines |
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| Alternative Parents | |
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| 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
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 700 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | Y8425 |
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| Cayman Chemical | 18716 |
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| Cayman Chemical | HMDB0000786 |
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| MetaSci | HMDB0000786 |
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| Toronto Research Chemicals | D454550 |
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