Mrv0541 03041413382D          

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M  END
> <ID>
CHEBI:77568

> <NAME>
trovafloxacin mesylate

> <DEFINITION>
A methanesulfonate (mesylate) salt prepared from equimolar amounts of trovafloxacin and methanesulfonic acid. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure.

> <STAR>
3

> <SYNONYM>
Trovafloxacin monomethanesulfonate; trovafloxacin monomesylate; trovafloxacin methanesulfonate

> <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 methanesulfonate; (1R,5S,6s)-3-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-aminium methanesulfonate

> <BRAND_NAME>
Trovan

> <FORMULA>
C21H19F3N4O6S

> <MASS>
512.45900

> <MONOISOTOPIC_MASS>
512.09774

> <CHARGE>
0

> <SMILES>
CS(O)(=O)=O.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.CH4O3S/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;1-5(2,3)4/h1-4,7,10-11,16H,5-6,24H2,(H,29,30);1H3,(H,2,3,4)/t10-,11+,16+;

> <INCHIKEY>
DYNZICQDCVYXFW-AHZSKCOESA-N

> <CAS_REGISTRY_NUMBER>
147059-75-4

> <REAXYS_REGISTRY_NUMBER>
8180672

> <CHEMIDPLUS>
147059-75-4

> <DRUGBANK_ACCESSION>
DB00685

> <KEGG_DRUG_ACCESSION>
D02123

> <WIKIPEDIA_ACCESSION>
Trovafloxacin

> <PUBMED_CITATION>
11684402; 14718297; 23986008; 9222073

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