Flunidazole
Basic information
- CAS
4548-15-6- Standard SMILES
O=[N+]([O-])c1cnc(-c2ccc(F)cc2)n1CCO- InChIKey
OQKHPZHGTCHGOQ-UHFFFAOYSA-N- Molecular formula
- C11H10FN3O3
- Average molar mass
- 251.21 g/mol
- Monoisotopic mass
- 251.07061935
Overview
Flunidazole is a small molecule drug. The usage of the INN stem '-nidazole' in the name indicates that Flunidazole is a antiprotozoal and radiosensitizer, metronidazole derivative. Flunidazole has a monoisotopic molecular weight of 251.07 Da.
Names & identifiers
- Preferred name
- Flunidazole
- IUPAC
- 2-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol
- English name
- Flunidazole
- Molecular formula
- C11H10FN3O3
- Molecular weight
- 251.21
Names & synonyms
FLUNIDAZOLE4548-15-6FlunidazolFlunidazolumNSC-323560I047971MRNDTXSID501965232-(2-(p-Fluorophenyl)-5-nitroimidazol-1-yl)ethanolRefChem:921685DTXCID901190142-[2-(4-fluorophenyl)-5-nitroimidazol-1-yl]ethanol1H-Imidazole-1-ethanol, 2-(4-fluorophenyl)-5-nitro-
Show more names
2-(4-Fluorophenyl)-5-nitro-1H-imidazole-1-ethanol2-[2-(4-fluorophenyl)-5-nitro-imidazol-1-yl]ethanol
5-NI2-(p-Fluorophenyl)-5-nitroimidazole-1-ethanolImidazole-1-ethanol, 2-(p-fluorophenyl)-5-nitro-MK-915NSC3235602-[2-(4-fluoro-phenyl)-5-nitro-imidazol-1-yl]-ethanol5-NI; MK-915; NSC 323560Flunidazol [INN-Spanish]
Database identifiers
- CAS
4548-15-6- PubChem CID
- 20676
- DTXSID
DTXSID50196523- ChEMBL
CHEMBL2105090- UNII
- I047971MRN
- Nikkaji
- J8.746G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Experimental & physicochemical properties
LogP1.33
Physicochemical properties
- Melting point
- 165 · 165-167 °C
- Boiling point
- 466.1 · 466.1±55.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 14.33 · 14.33±0.10(Predicted)
- FDA UNII
- 47971 MRN · I047971MRN
- Comptox DTXSID
- 50196523 · DTXSID50196523
Chemistry & industry
Applications
UsesAntiprotozoal.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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