| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:01:42 UTC |
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| Update Date | 2020-05-11 20:45:18 UTC |
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| BMDB ID | BMDB0002818 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Alloxan |
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| Description | Alloxan, also known as 5,6-dioxouracil or mesoxalylurea, belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Based on a literature review a significant number of articles have been published on Alloxan. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2,4,5,6(1H,3H)-Pyrimidinetetrone | ChEBI | | 2,4,5,6-Pyrimidinetetrone | ChEBI | | 2,4,5,6-Tetraoxohexahydropyrimidine | ChEBI | | 5,6-Dioxouracil | ChEBI | | 5-Oxobarbituric acid | ChEBI | | Alloxane | ChEBI | | Mesoxalylcarbamide | ChEBI | | Mesoxalylurea | ChEBI | | NSC 7169 | ChEBI | | Pyrimidinetetrone | ChEBI | | 5-Oxobarbitate | Generator | | 5-Oxobarbitic acid | Generator | | 2,4,5,6-Pyrimidintetron | HMDB | | 2,4,5,6-Pyrimidintetrone | HMDB | | 5-oxo-Barbiturate | HMDB | | 5-oxo-Barbituric acid | HMDB | | Alloxan 7169 | HMDB | | Alloxan tetrahydrat | HMDB | | Mesoxalyl-urea | HMDB |
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| Chemical Formula | C4H2N2O4 |
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| Average Molecular Weight | 142.0697 |
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| Monoisotopic Molecular Weight | 142.001456562 |
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| IUPAC Name | 1,3-diazinane-2,4,5,6-tetrone |
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| Traditional Name | alloxan |
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| CAS Registry Number | 50-71-5 |
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| SMILES | O=C1NC(=O)C(=O)C(=O)N1 |
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| InChI Identifier | InChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10) |
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| InChI Key | HIMXGTXNXJYFGB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Diazines |
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| Sub Class | Pyrimidines and pyrimidine derivatives |
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| Direct Parent | Pyrimidones |
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| Alternative Parents | |
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| Substituents | - Pyrimidone
- Hydropyrimidine
- 2,5-dihydropyrimidine
- Ketone
- Carbonic acid derivative
- Cyclic ketone
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | 256 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | -1.84 | BIOBYTE (1995) |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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