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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB100064 |
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Identification |
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| Name: |
finafloxacin |
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| Description: | A quinolone that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted at positions 1, 6, 7 and 8 by cyclopropyl, fluoro, hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl and cyano groups respectively; an antibiotic used for treatment of acut |
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Structure |
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| Synonyms: | Not Available |
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Chemical Formula: |
C20H19FN4O4 |
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| Average Molecular Weight: |
398.3877 |
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| Monoisotopic Molecular
Weight: |
398.139 |
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| InChI Key: |
FYMHQCNFKNMJAV-HOTGVXAUSA-N |
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| InChI: | Not Available |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | OC(=O)c1cn(C2CC2)c2c(C#N)c(N3C[C@@H]4NCCO[C@H]4C3)c(F)cc2c1=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions. |
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Kingdom |
Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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Class |
Quinolines and derivatives |
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| Sub Class | Quinoline carboxylic acids |
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Direct Parent |
Quinoline carboxylic acids |
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| Alternative Parents |
Not Available |
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| Substituents |
- Quinoline-3-carboxylic acid
- Fluoroquinolone
- Aminoquinoline
- Haloquinoline
- Dihydroquinolone
- Dihydroquinoline
- Pyridine carboxylic acid
- Pyridine carboxylic acid or derivatives
- Tertiary aliphatic/aromatic amine
- Dialkylarylamine
- Benzenoid
- Aryl fluoride
- Aryl halide
- Pyridine
- Morpholine
- Oxazinane
- Vinylogous amide
- Heteroaromatic compound
- Pyrrolidine
- Amino acid or derivatives
- Tertiary amine
- Amino acid
- Oxacycle
- Azacycle
- Secondary amine
- Carboxylic acid derivative
- Carboxylic acid
- Dialkyl ether
- Secondary aliphatic amine
- Ether
- Monocarboxylic acid or derivatives
- Carbonitrile
- Nitrile
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Organic nitrogen compound
- Hydrocarbon derivative
- Amine
- Organohalogen compound
- Organofluoride
- Organonitrogen compound
- Organooxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework |
Aromatic heteropolycyclic compounds |
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| External Descriptors |
- organofluorine compound, tertiary amino compound, monocarboxylic acid, secondary amino compound, nitrile, cyclopropanes, quinolone (CHEBI:85176)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | 0 |
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Melting point: |
Not Available |
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| Experimental Properties: |
Not Available |
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| Predicted Properties |
Not Available |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
- Emrich NC, Heisig A, Stubbings W, Labischinski H, Heisig P. Antibacterial
activity of finafloxacin under different pH conditions against isogenic strains
of Escherichia coli expressing combinations of defined mechanisms of
fluoroquinolone resistance. J Antimicrob Chemother. 2010 Dec;65(12):2530-3. Pubmed: 20940181
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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