Metabolite dihydrofluorouracil (DHFU)
- Name
- dihydrofluorouracil (DHFU)
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- CLP4LM9HXK
- CAS number
- Not Available
- Weight
- Average: 132.0931
Monoisotopic: 132.033505619 - Chemical Formula
- C4H5FN2O2
- InChI Key
- RAIRJKWTBBDDAR-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)
- IUPAC Name
- 5-fluoro-1,3-diazinane-2,4-dione
- SMILES
- FC1CNC(=O)NC1=O
- Reactions
- Capecitabine 5’-Deoxy-5-fluorocytidine (5'-DFCR)
- 5’-Deoxy-5-fluorocytidine (5'-DFCR) 5’-Deoxy-5-fluorouridine (5'DFUR)
- 5’-Deoxy-5-fluorouridine (5'DFUR) 5-fluorouracil
- 5-fluorouracil dihydrofluorouracil (DHFU)
- dihydrofluorouracil (DHFU) β-ureidopropionic acid (FUPA)
- β-ureidopropionic acid (FUPA) Urea and fluoro-β-alanine (FBAL)
- dihydrofluorouracil (DHFU) β-ureidopropionic acid (FUPA)
- 5-fluorouracil 5-fluorodeoxyuridine (5-FUdR)
- 5-fluorodeoxyuridine (5-FUdR) 5-fluorodeoxyuridine monophosphate (5-FdUMP)
- 5-fluorodeoxyuridine monophosphate (5-FdUMP) 5-fluorodeoxyuridine diphosphate (5-FdUDP)
- 5-fluorodeoxyuridine diphosphate (5-FdUDP) 5-fluorodeoxyuridine triphosphate (5-FdUTP)
- 5-fluorodeoxyuridine triphosphate (5-FdUTP) 5-fluorodeoxyuridine monophosphate (5-FdUMP)
- 5-fluorodeoxyuridine diphosphate (5-FdUDP) 5-fluorodeoxyuridine triphosphate (5-FdUTP)
- 5-fluorodeoxyuridine monophosphate (5-FdUMP) 5-fluorodeoxyuridine diphosphate (5-FdUDP)
- 5-fluorodeoxyuridine (5-FUdR) 5-fluorodeoxyuridine monophosphate (5-FdUMP)
- 5-fluorouracil 5-fluorouridine monophosphate (5-FUMP)
- 5-fluorouridine monophosphate (5-FUMP) 5-fluorouridine diphosphate (5-FUDP)
- 5-fluorouridine diphosphate (5-FUDP) 5-fluorouridine triphosphate (5-FUTP)
- 5-fluorouridine triphosphate (5-FUTP) 5-FUDP-hexose
- 5-fluorouridine diphosphate (5-FUDP) 5-fluorodeoxyuridine diphosphate (5-FdUDP)
- 5-fluorodeoxyuridine diphosphate (5-FdUDP) 5-fluorodeoxyuridine triphosphate (5-FdUTP)
- 5-fluorodeoxyuridine triphosphate (5-FdUTP) 5-fluorodeoxyuridine monophosphate (5-FdUMP)
- 5-fluorodeoxyuridine diphosphate (5-FdUDP) 5-fluorodeoxyuridine monophosphate (5-FdUMP)
- 5-fluorodeoxyuridine diphosphate (5-FdUDP) 5-fluorodeoxyuridine triphosphate (5-FdUTP)
- 5-fluorouridine diphosphate (5-FUDP) 5-fluorouridine triphosphate (5-FUTP)
- 5-fluorouridine monophosphate (5-FUMP) 5-fluorouridine diphosphate (5-FUDP)
- 5-fluorouracil 5-fluouridine (5-FUR)
- 5-fluouridine (5-FUR) 5-fluorouridine monophosphate (5-FUMP)
- 5-fluorouridine monophosphate (5-FUMP) 5-fluorouridine diphosphate (5-FUDP)
- 5-fluorouridine diphosphate (5-FUDP) 5-fluorouridine triphosphate (5-FUTP)
- 5-fluorouridine triphosphate (5-FUTP) 5-FUDP-hexose
- 5-fluorouridine diphosphate (5-FUDP) 5-fluorouridine triphosphate (5-FUTP)
- 5-fluorouridine monophosphate (5-FUMP) 5-fluorouridine diphosphate (5-FUDP)
- 5-fluouridine (5-FUR) 5-fluorouridine monophosphate (5-FUMP)
- 5-fluorouracil dihydrofluorouracil (DHFU)
- 5’-Deoxy-5-fluorouridine (5'DFUR) 5-fluorouracil
- 5’-Deoxy-5-fluorocytidine (5'-DFCR) 5’-Deoxy-5-fluorouridine (5'DFUR)
- Capecitabine 5’-Deoxy-5-fluorocytidine (5'-DFCR)
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 116.6478389 predictedDarkChem Lite v0.1.0 [M-H]- 116.6478389 predictedDarkChem Lite v0.1.0 [M-H]- 124.8342 predictedDeepCCS 1.0 (2019) [M-H]- 124.8342 predictedDeepCCS 1.0 (2019) [M+H]+ 117.4541389 predictedDarkChem Lite v0.1.0 [M+H]+ 117.4541389 predictedDarkChem Lite v0.1.0 [M+H]+ 127.78416 predictedDeepCCS 1.0 (2019) [M+H]+ 127.78416 predictedDeepCCS 1.0 (2019) [M+Na]+ 117.5025389 predictedDarkChem Lite v0.1.0 [M+Na]+ 117.5025389 predictedDarkChem Lite v0.1.0 [M+Na]+ 136.26686 predictedDeepCCS 1.0 (2019) [M+Na]+ 136.26686 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 48.9 mg/mL ALOGPS logP -1.2 ALOGPS logP -1 Chemaxon logS -0.43 ALOGPS pKa (Strongest Acidic) 10.66 Chemaxon pKa (Strongest Basic) -8.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 58.2 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 25.39 m3·mol-1 Chemaxon Polarizability 10.22 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon