EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:77594 - (S)-tosufloxacin(1+)

ChEBI IDCHEBI:77594
ChEBI Name(S)-tosufloxacin(1+)
Stars
ASCII Name(S)-tosufloxacin(1+)
DefinitionA 1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium having S configuration.
Last Modified6 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC19H16F3N4O3
Net Charge+1
Average Mass405.356
Monoisotopic Mass405.11690
SMILES[NH3+][C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1
InChIInChI=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/t10-/m0/s1
InChIKeyWUWFMDMBOJLQIV-JTQLQIEISA-O
ChEBI Ontology
Outgoing Relation(s)
(S)-tosufloxacin(1+) (CHEBI:77594) is a 1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium (CHEBI:77588)
(S)-tosufloxacin(1+) (CHEBI:77594) is conjugate acid of (S)-tosufloxacin (CHEBI:77582)
(S)-tosufloxacin(1+) (CHEBI:77594) is enantiomer of (R)-tosufloxacin(1+) (CHEBI:77595)
Incoming Relation(s)
(S)-tosufloxacin tosylate (CHEBI:77606) has part (S)-tosufloxacin(1+) (CHEBI:77594)
tosufloxacin(1+) (CHEBI:77586) has part (S)-tosufloxacin(1+) (CHEBI:77594)
(S)-tosufloxacin (CHEBI:77582) is conjugate base of (S)-tosufloxacin(1+) (CHEBI:77594)
(R)-tosufloxacin(1+) (CHEBI:77595) is enantiomer of (S)-tosufloxacin(1+) (CHEBI:77594)
IUPAC Name 
(3S)-1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium