loading...| Preferred Name |
trovafloxacin |
|
| Synonyms |
7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid trovafloxacinum trovafloxacin trovafloxacine trovafloxacino |
|
| Definitions |
A 1,8-naphthyridine derivative that is 4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid bearing additional 2,4-difluorophenyl, fluoro and 6-amino-3-azabicyclo[3.1.0]hex-3-yl substituents at positions 1, 6 and 7 respectively. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9763 |
|
| charge |
0 |
|
| database_cross_reference |
DrugBank:DB00685 PMID:20655887 PMID:24525298 Drug_Central:2777 PMID:23727874 PMID:20538741 HMDB:HMDB0014823 PMID:20022474 PMID:24097668 Wikipedia:Trovafloxacin Reaxys:8172628 PMID:21151465 CAS:147059-72-1 PMID:20462743 KEGG:C07664 KEGG:D08654 PMID:22305082 |
|
| definition |
A 1,8-naphthyridine derivative that is 4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid bearing additional 2,4-difluorophenyl, fluoro and 6-amino-3-azabicyclo[3.1.0]hex-3-yl substituents at positions 1, 6 and 7 respectively. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure. |
|
| formula |
C20H15F3N4O3 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_59517 http://purl.obolibrary.org/obo/CHEBI_33281 http://purl.obolibrary.org/obo/CHEBI_50908 |
|
| has_exact_synonym |
7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
trovafloxacinum trovafloxacin trovafloxacine trovafloxacino |
|
| id |
CHEBI:9763 |
|
| in_subset | ||
| inchi |
InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16+ |
|
| inchikey |
WVPSKSLAZQPAKQ-CDMJZVDBSA-N |
|
| is conjugate base of | ||
| label |
trovafloxacin |
|
| mass |
416.35330 |
|
| monoisotopicmass |
416.10962 |
|
| notation |
CHEBI:9763 |
|
| prefLabel |
trovafloxacin |
|
| smiles |
N[C@H]1[C@@H]2CN(C[C@H]12)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_73537 http://purl.obolibrary.org/obo/CHEBI_87211 http://purl.obolibrary.org/obo/CHEBI_33709 http://purl.obolibrary.org/obo/CHEBI_25384 http://purl.obolibrary.org/obo/CHEBI_50994 http://purl.obolibrary.org/obo/CHEBI_38295 http://purl.obolibrary.org/obo/CHEBI_38582 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_73537 http://purl.obolibrary.org/obo/CHEBI_87211 http://purl.obolibrary.org/obo/CHEBI_33709 http://purl.obolibrary.org/obo/CHEBI_25384 http://purl.obolibrary.org/obo/CHEBI_50994 http://purl.obolibrary.org/obo/CHEBI_38295 http://purl.obolibrary.org/obo/CHEBI_38582 |