Basic information
- CAS
62987-05-7- Standard SMILES
O=c1c(F)cn(C2CCCO2)c(=O)n1C1CCCO1- InChIKey
FLMBDTNCANYTCP-UHFFFAOYSA-N- Molecular formula
- C12H15FN2O4
- Average molar mass
- 270.26 g/mol
- Monoisotopic mass
- 270.10158518
Names & identifiers
- Preferred name
- 1,3-Bis(tetrahydro-2-furanyl)-5-fluoro-2,4-pyrimidinedione
- IUPAC
- 5-fluoro-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione
- English name
- FD 1
- Molecular formula
- C12H15FN2O4
- Molecular weight
- 270.26
Names & synonyms
1,3-Bis(tetrahydro-2-furanyl)-5-fluoro-2,4-pyrimidinedioneRefChem:9068645-fluoro-1,3-bis(tetrahydro-2-furanyl)-2,4-pyrimidinedioneTegadifur62987-05-7FD 11,3-Bis(tetrahydro-2-furyl)-5-fluorouracil5-fluoro-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1,3-bis(tetrahydro-2-furanyl)-EPX6891QS61,3-bis(tetrahydro-2-furanyl)-5-fluorouracil5-Fluoro-1,3-bis(tetrahydro-2-furanyl)-2,4(1H,3H)-pyrimidinedione
Show more names
40497STegafur Impurity 7FD-1【antitumor agent】Gimeracil Impurity ZY1Rezvilutamide Impurity 11,3-Bis(tetrahydrofuran-2-yl)-5-fluorouracilTegaflu double-substituted reference standard5-Fluoro-1,3-bis(tetrahydrofuran-2-yl)-2,4(1H,3H)-pyrimidinedione1,3-Bis(tetrahydrofuran-2-yl)-5-fluoropyrimidine-2,4(1H,3H)-dione
Uracil, 1,3-bis(tetrahydro-2-furyl)-5-fluoro-5-fluoro-1,3-bis(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dioneUNII-EPX6891QS6orb1708393SCHEMBL4886558CHEMBL3272516DTXSID20978873AKOS040740161
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Melting point
- 104 · 104-106 °C
- Boiling point
- 379.5 · 379.5±52.0 °C(Predicted)
- Density
- 1.265 · 1.2650 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- -4.42 · -4.42±0.40(Predicted)
- FDA UNII
- 6891 QS6 · EPX6891QS6
Chemistry & industry
Applications
UsesTegadifur is a fluorine-containing and anti-metabolic agent.
Suppliers18 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
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湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
深圳卓越生物医药科技有限公司0755-26050679 18318671572 · [email protected]
Related reactions
5 records
Compound notes
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