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CHEBI:77582 - (S)-tosufloxacin

ChEBI IDCHEBI:77582
ChEBI Name(S)-tosufloxacin
Stars
ASCII Name(S)-tosufloxacin
DefinitionA 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid that is the (S)-enantiomer of tosufloxacin.
Last Modified5 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC19H15F3N4O3
Net Charge0
Average Mass404.348
Monoisotopic Mass404.10962
SMILESN[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)/t10-/m0/s1
InChIKeyWUWFMDMBOJLQIV-JTQLQIEISA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
(S)-tosufloxacin (CHEBI:77582) is a 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid (CHEBI:77581)
(S)-tosufloxacin (CHEBI:77582) is conjugate base of (S)-tosufloxacin(1+) (CHEBI:77594)
(S)-tosufloxacin (CHEBI:77582) is enantiomer of (R)-tosufloxacin (CHEBI:77584)
Incoming Relation(s)
tosufloxacin (CHEBI:77573) has part (S)-tosufloxacin (CHEBI:77582)
(S)-tosufloxacin(1+) (CHEBI:77594) is conjugate acid of (S)-tosufloxacin (CHEBI:77582)
(R)-tosufloxacin (CHEBI:77584) is enantiomer of (S)-tosufloxacin (CHEBI:77582)
IUPAC Name 
7-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
Registry NumbersSources
Reaxys:4913118Reaxys