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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:77586 - tosufloxacin(1+)
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ChEBI Ontology
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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.
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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
(
R
S
)-tosufloxacin(1+)
ChEBI
rac
-tosufloxacin(1+)
ChEBI
racemic tosufloxacin(1+)
ChEBI
Last Modified
06 March 2014