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ChEBI
> Main
CHEBI:77605 - tosufloxacin tosylate
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ChEBI Ontology
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ChEBI Name
tosufloxacin tosylate
ChEBI ID
CHEBI:77605
Definition
A racemate comprising equimolar amounts of (
R
)- and (
S
)-tosufloxacin tosylate.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C26H23F3N4O6S
Net Charge
0
Average Mass
576.54400
Monoisotopic Mass
576.12904
InChI
InChI=1S/C19H15F3N4O3.C7H8O3S/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;1-
6-
2-
4-
7(5-
3-
6)
11(8,9)
10/h1-
2,5-
6,8,10H,3-
4,7,23H2,(H,28,29)
;2-
5H,1H3,(H,8,9,10)
InChIKey
CSSQVOKOWWIUCX-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1)S(O)(=O)=O.NC1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F
Roles Classification
Biological Role
(s):
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
DNA synthesis inhibitor
Any substance that inhibits the synthesis of DNA.
hepatotoxic agent
A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals.
topoisomerase IV inhibitor
A topoisomerase inhibitor that inhibits DNA topoisomerase IV, which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands.
Application
(s):
antiinfective agent
A substance used in the prophylaxis or therapy of infectious diseases.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
tosufloxacin tosylate (
CHEBI:77605
)
has part
(
R
)-tosufloxacin tosylate (
CHEBI:77607
)
tosufloxacin tosylate (
CHEBI:77605
)
has part
(
S
)-tosufloxacin tosylate (
CHEBI:77606
)
tosufloxacin tosylate (
CHEBI:77605
)
has part
tosufloxacin(1+) (
CHEBI:77586
)
tosufloxacin tosylate (
CHEBI:77605
)
has role
antiinfective agent (
CHEBI:35441
)
tosufloxacin tosylate (
CHEBI:77605
)
has role
antimicrobial agent (
CHEBI:33281
)
tosufloxacin tosylate (
CHEBI:77605
)
has role
DNA synthesis inhibitor (
CHEBI:59517
)
tosufloxacin tosylate (
CHEBI:77605
)
has role
hepatotoxic agent (
CHEBI:50908
)
tosufloxacin tosylate (
CHEBI:77605
)
has role
topoisomerase IV inhibitor (
CHEBI:53559
)
tosufloxacin tosylate (
CHEBI:77605
)
is a
racemate (
CHEBI:60911
)
Incoming
tosufloxacin tosylate hydrate (
CHEBI:32248
)
has part
tosufloxacin tosylate (
CHEBI:77605
)
IUPAC Names
rac
-
1-
[6-
carboxy-
8-
(2,4-
difluorophenyl)-
3-
fluoro-
5-
oxo-
5,8-
dihydro-
1,8-
naphthyridin-
2-
yl]pyrrolidin-
3-
aminium 4-
methylbenzenesulfonate
rac
-
7-
(3-
aminopyrrolidin-
1-
yl)-
1-
(2,4-
difluorophenyl)-
6-
fluoro-
4-
oxo-
1,4-
dihydro-
1,8-
naphthyridine-
3-
carboxylic acid 4-
methylbenzenesulfonate
Synonyms
Sources
(±)-tosufloxacin tosylate
ChEBI
(
R
S
)-tosufloxacin tosylate
ChEBI
A 61827
ChemIDplus
A-61827
ChemIDplus
rac
-tosufloxacin tosylate
ChEBI
racemic tosufloxacin tosylate
ChEBI
tosufloxacin monotosylate
ChEBI
Tosufloxacin tosilate
ChEBI
Registry Numbers
Types
Sources
100490-94-6
CAS Registry Number
ChemIDplus
115964-29-9
CAS Registry Number
ChemIDplus
7617816
Reaxys Registry Number
Reaxys
Last Modified
06 March 2014