Ofloxacin Q acid, (R)-
Basic information
- CAS
110548-07-7- Standard SMILES
C[C@@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23- InChIKey
NVKWWNNJFKZNJO-RXMQYKEDSA-N- Molecular formula
- C13H9F2NO4
- Average molar mass
- 281.21 g/mol
- Monoisotopic mass
- 281.04996409
Names & identifiers
- Preferred name
- Ofloxacin Q acid, (R)-
- IUPAC
- (2R)-6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
- English name
- (R)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
- Molecular formula
- C13H9F2NO4
- Molecular weight
- 281.21
Names & synonyms
110548-07-7Ofloxacin Q acid, (R)-54WED5A4S7(3R)-9,10-Difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3R)-RefChem:1093846Levofloxacin Impurity 5(R)-9,10-Difluoro-3-methyl-7-oxo-2,3-dihydro-7h-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid(2R)-6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid(3R)-9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid(>85%)(R)-Ofloxacin Carboxylic Acid (Dextrofloxacin Difluoro Impurity)(R)-9,10-difluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
Show more names
Levofloxacin-12Levofloacin Impurity L(R)-Ofloxacin Carboxylic Acid(R)-(+)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-, (3R)-(3R)-9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid (>85%)Levofloxacin impurity 14/(R)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
Database identifiers
- CAS
110548-07-7- PubChem CID
- 688334
- UNII
- 54WED5A4S7
- Nikkaji
- J2.912.505H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 495
Physicochemical properties
- Boiling point
- 459.2 · 459.2±45.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 4.87 · 4.87±0.40(Predicted)
- FDA UNII
- 54 WED5A4S7 · 54WED5A4S7
Chemistry & industry
Applications
UsesThe R-enantiomer of Levofloxacin Carboxylic Acid (L360250); an impurity of Levofloxacin. The (S)-enantiomer is substantially the more active.
Related reactions
0 records
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Compound notes
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