Sodium 5-ethyl-5-[4-(4-fluorophenyl)-4-oxobutyl]-6-hydroxy-2-oxo-2,5-dihydropyrimidin-4-olate
Basic information
- CAS
97068-32-1- Standard SMILES
CCC1(CCCC(=O)c2ccc(F)cc2)C(=O)NC(=O)N=C1[O-].[Na+]- InChIKey
JXPRQOJYOYROLN-UHFFFAOYSA-M- Molecular formula
- C16H16FN2NaO4
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.09917944
Overview
See also: F-B 1 (Pharmaceutical) (preferred).
Names & identifiers
- Preferred name
- Sodium 5-ethyl-5-[4-(4-fluorophenyl)-4-oxobutyl]-6-hydroxy-2-oxo-2,5-dihydropyrimidin-4-olate
- IUPAC
- sodium 5-ethyl-5-[4-(4-fluorophenyl)-4-oxobutyl]-2,6-dioxopyrimidin-4-olate
Names & synonyms
DTXSID30914186Sodium 5-ethyl-5-[4-(4-fluorophenyl)-4-oxobutyl]-6-hydroxy-2-oxo-2,5-dihydropyrimidin-4-olate
Database identifiers
- CAS
97068-32-1- PubChem CID
- 138397129
- DTXSID
DTXSID30914186
Properties
Computed structural properties
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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