Basic information
- CAS
130982-86-4- Standard SMILES
C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1- InChIKey
QKDHBVNJCZBTMR-LLVKDONJSA-N- Molecular formula
- C21H18F3N3O3
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.13002593
Overview
(R)-temafloxacin is 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid that has R configuration. It has a role as an antiinfective agent, an antibacterial drug and an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor. It is an enantiomer of a (S)-temafloxacin.
Names & identifiers
- Preferred name
- (R)-temafloxacin
- IUPAC
- 1-(2,4-difluorophenyl)-6-fluoro-7-[(3R)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
- English name
- 3-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-7-[(3R)-3-methyl-1-piperazinyl]-4-oxo-
- Molecular formula
- C21H18F3N3O3
- Molecular weight
- 417.38
Names & synonyms
(R)-temafloxacinD-TemafloxacinTemafloxacin, (R)-MQH8QMU5KW130982-86-41-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-7-((3R)-3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid1-(2,4-difluorophenyl)-6-fluoro-7-[(3R)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-7-((3R)-3-methyl-1-piperazinyl)-4-oxo-3-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-, (R)-(+)-temafloxacinUNII-MQH8QMU5KW(R)-(+)-temafloxacin
Show more names
3-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-7-[(3R)-3-methyl-1-piperazinyl]-4-oxo-
SCHEMBL48096CHEMBL49282CHEBI:777941-(2,4-difluorophenyl)-6-fluoro-7-[(3R)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acidQ27147388
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 721
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 608.9 · 608.9±55.0 °C(Predicted)
- Density
- 1.427 · 1.427±0.06 g/cm3(Predicted)
- pka
- 6.02 · 6.02±0.41(Predicted)
- FDA UNII
- 8 QMU5KW · MQH8QMU5KW
Chemistry & industry
Suppliers1 total
湖北扬信医药科技有限公司15347293736 · [email protected]
Additional notes
DefinitionChEBI: (R)-temafloxacin is 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid that has R configuration. It has a role as an antibacterial drug, an antiinfective agent and an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor. It is an enantiomer of a (S)-temafloxacin.
Related reactions
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Compound notes
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