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CHEBI:77795 - (S)-temafloxacin
| Formula | C21H18F3N3O3 |
| Net Charge | 0 |
| Average Mass | 417.387 |
| Monoisotopic Mass | 417.13003 |
| SMILES | C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1 |
| InChI | InChI=1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30)/t11-/m0/s1 |
| InChIKey | QKDHBVNJCZBTMR-NSHDSACASA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | antibacterial drug A drug used to treat or prevent bacterial infections. EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor A topoisomerase inhibitor that inhibits DNA topoisomerase (ATP-hydrolysing), EC 5.99.1.3 (also known as topoisomerase II and as DNA gyrase), which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| Applications: | antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. antibacterial drug A drug used to treat or prevent bacterial infections. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-temafloxacin (CHEBI:77795) has role antibacterial drug (CHEBI:36047) |
| (S)-temafloxacin (CHEBI:77795) has role antiinfective agent (CHEBI:35441) |
| (S)-temafloxacin (CHEBI:77795) has role EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor (CHEBI:50750) |
| (S)-temafloxacin (CHEBI:77795) is a 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CHEBI:77796) |
| (S)-temafloxacin (CHEBI:77795) is enantiomer of (R)-temafloxacin (CHEBI:77794) |
| Incoming Relation(s) |
| temafloxacin (CHEBI:77788) has part (S)-temafloxacin (CHEBI:77795) |
| (R)-temafloxacin (CHEBI:77794) is enantiomer of (S)-temafloxacin (CHEBI:77795) |
| IUPAC Name |
|---|
| 1-(2,4-difluorophenyl)-6-fluoro-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Synonyms | Source |
|---|---|
| (−)-temafloxacin | ChEBI |
| (S)-(−)-temafloxacin | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4301727 | Reaxys |
| Citations |
|---|