Basic information
- CAS
3363-58-4- Standard SMILES
O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1CN1CCOCC1- InChIKey
WCEJYDIWHURKJX-UHFFFAOYSA-N- Molecular formula
- C13H15N5O6
- Average molar mass
- 337.29 g/mol
- Monoisotopic mass
- 337.10223322
Names & identifiers
- Preferred name
- 3-[(Morpholin-4-yl)methyl]-1-{[(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione
- IUPAC
- 3-(morpholin-4-ylmethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
- English name
- nifurfoline
- Molecular formula
- C13H15N5O6
- Molecular weight
- 337.29
Names & synonyms
SCHEMBL150318DTXSID008631573-[(Morpholin-4-yl)methyl]-1-{[(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dionenifurfoline3-[(Morpholino)methyl]-1-[(5-nitrofurfurylidene)amino]hydantoin2,4-Imidazolidinedione, 3-(4-morpholinylmethyl)-1-[[(5-nitro-2-furanyl)methylene]amino]-3-(morpholin-4-ylmethyl)-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
Database identifiers
- CAS
3363-58-4- PubChem CID
- 71126
- DTXSID
DTXSID00863157
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 543
Physicochemical properties
- Melting point
- 206 °; · 206°; also reported as mp 194-196°
- Boiling point
- 486.5 · 486.5±55.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- pka
- 5.39 · 5.39±0.10(Predicted)
- FDA UNII
- 65 RJY2Z · SWQ65RJY2Z
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Additional notes
DefinitionChEBI: Nifurfoline is an imidazolidine-2,4-dione.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…