Basic information
- Standard SMILES
O=C1NCC(F)C(=O)N1- InChIKey
RAIRJKWTBBDDAR-UHFFFAOYSA-N- Molecular formula
- C4H5FN2O2
- Average molar mass
- 132.09 g/mol
- Monoisotopic mass
- 132.03350557
Names & identifiers
- Preferred name
- 5,6-Dihydro-5-fluorouracil
- IUPAC
- 5-fluoro-1,3-diazinane-2,4-dione
- English name
- 5-FLUORO-DIHYDRO-PYRIMIDINE-2,4-DIONE
- Molecular formula
- C4H5FN2O2
- Molecular weight
- 132.09
Names & synonyms
696-06-05-fluorodihydrouracil5,6-Dihydro-5-fluorouracilDHFU5,6-Dihydrofluorouracil5-dihydrofluorouracilRefChem:9129485-FLUORO-DIHYDRO-PYRIMIDINE-2,4-DIONE5-fluoro-1,3-diazinane-2,4-dione5-FLUORODIHYDROPYRIMIDINE-2,4-DIONE5-Fluoro-5,6-dihydrouracil5-fluorodihydropyrimidine-2,4(1h,3h)-dione
Show more names
5-FDHU5-DHFU5-FluorohydrouracilCytosine Impurity 14
dihydrofluorouracilMFCD00871150CLP4LM9HXKC4H5FN2O25-fluorodihydro-2,4(1H,3H)-pyrimidinedione2,4(1H,3H)-Pyrimidinedione, 5-fluorodihydro-UNII-CLP4LM9HXKCHEMBL219497
Database identifiers
- CAS
696-06-0- PubChem CID
- 121997
- ChEMBL
CHEMBL219497- ChEBI
CHEBI:80624- UNII
- CLP4LM9HXK
- EC Number
- 614-990-2
- Nikkaji
- J153.932I
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 228 · 228-230°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Light Beige
- CAS DataBase Reference
- 696 · 696-06-0
- FDA UNII
- 4 LM9HXK · CLP4LM9HXK
Chemistry & industry
Pharmacology
Tissue LocationsKidney；Liver
Cellular LocationsCytoplasm
Applications
UsesA metabolite of 5-Fluorouracil. (F596000)
Suppliers18 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: 5,6-Dihydro-5-fluorouracil is a pyrimidone.
Related reactions
1 records
Linked notes
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