CHEBI:77586 - tosufloxacin(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tosufloxacin(1+)
ChEBI ID CHEBI:77586
Definition A racemate comprising equimolar amounts of (R)-tosufloxacin(1+) and (S)-tosufloxacin(1+).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H16F3N4O3
Net Charge +1
Average Mass 405.35000
Monoisotopic Mass 405.11690
InChI InChI=1S/C19H15F3N4O3/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29)/p+1
InChIKey WUWFMDMBOJLQIV-UHFFFAOYSA-O
SMILES [NH3+]C1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F
ChEBI Ontology
Outgoing tosufloxacin(1+) (CHEBI:77586) has part (R)-tosufloxacin(1+) (CHEBI:77595)
tosufloxacin(1+) (CHEBI:77586) has part (S)-tosufloxacin(1+) (CHEBI:77594)
tosufloxacin(1+) (CHEBI:77586) is a racemate (CHEBI:60911)
tosufloxacin(1+) (CHEBI:77586) is conjugate acid of tosufloxacin (CHEBI:77573)
Incoming tosufloxacin tosylate (CHEBI:77605) has part tosufloxacin(1+) (CHEBI:77586)
tosufloxacin (CHEBI:77573) is conjugate base of tosufloxacin(1+) (CHEBI:77586)
IUPAC Name
rac-1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium
Synonyms Sources
(±)-tosufloxacin(1+) ChEBI
(RS)-tosufloxacin(1+) ChEBI
rac-tosufloxacin(1+) ChEBI
racemic tosufloxacin(1+) ChEBI
Last Modified
06 March 2014