| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:28 UTC |
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| Update date | 2017-01-19 02:36:22 UTC |
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| FoodComEx ID | PC000406 |
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| FoodDB Record | FDB022107 |
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| Chemical Information |
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| Name | 5-Hydroxymethyl-4-methyluracil |
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| Description | 5-Hydroxymethyl-6-methyl- 2,4-(1H,3H)-pyrimidinedione. Uracil derivative used in combination with toxic antibiotics to lessen their toxicity; also to stimulate leukopoiesis and immunity. [HMDB] |
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| CAS Number | 147-61-5 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 4-Methyl-5-hydroxymethyluracil | hmdb | | 5-Hydroxymethyl-4-methyluracil | hmdb | | 5-Hydroxymethyl-6-methyluracil | hmdb | | Pentoxil | hmdb | | Pentoxyl | hmdb |
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| Chemical Formula | C6H8N2O3 |
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| IUPAC name | 5-(hydroxymethyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione |
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| InChI Identifier | InChI=1S/C6H8N2O3/c1-3-4(2-9)5(10)8-6(11)7-3/h9H,2H2,1H3,(H2,7,8,10,11) |
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| InChI Key | XBAVGYMDOXCWQU-UHFFFAOYSA-N |
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| Isomeric SMILES | CC1=C(CO)C(=O)NC(=O)N1 |
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| Average Molecular Weight | 156.1393 |
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| Monoisotopic Molecular Weight | 156.053492132 |
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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
- Vinylogous amide
- Heteroaromatic compound
- Lactam
- Urea
- Azacycle
- Alcohol
- Hydrocarbon derivative
- Aromatic alcohol
- Organic oxide
- Organopnictogen compound
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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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 20 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 | 4526AD |
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