Mrv0541 03041411472D          

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 27 31  1  6  0  0  0
 29 32  1  6  0  0  0
M  END
> <ID>
CHEBI:9763

> <NAME>
trovafloxacin

> <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 A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure.

> <STAR>
3

> <IUPAC_NAME>
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

> <INN>
trovafloxacinum; trovafloxacino; trovafloxacine; trovafloxacin

> <FORMULA>
C20H15F3N4O3

> <MASS>
416.35330

> <MONOISOTOPIC_MASS>
416.10962

> <CHARGE>
0

> <SMILES>
N[C@H]1[C@@H]2CN(C[C@H]12)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F

> <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

> <CAS_REGISTRY_NUMBER>
147059-72-1

> <REAXYS_REGISTRY_NUMBER>
8172628

> <CHEMIDPLUS>
147059-72-1

> <DRUGBANK_ACCESSION>
DB00685

> <KEGG_COMPOUND_ACCESSION>
C07664

> <KEGG_DRUG_ACCESSION>
D08654

> <WIKIPEDIA_ACCESSION>
Trovafloxacin

> <PUBMED_CITATION>
20022474; 20462743; 20538741; 20655887; 21151465; 22305082; 23727874; 24097668; 24525298

$$$$