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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:53749 - gemifloxacin mesylate
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ChEBI Ontology
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ChEBI Name
gemifloxacin mesylate
ChEBI ID
CHEBI:53749
Definition
The mesylate salt of gemifloxacin.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C19H24FN5O7S
Net Charge
0
Average Mass
485.48700
Monoisotopic Mass
485.13805
InChI
InChI=1S/C18H20FN5O4.CH4O3S/c1-
28-
22-
14-
8-
23(6-
9(14)
5-
20)
17-
13(19)
4-
11-
15(25)
12(18(26)
27)
7-
24(10-
2-
3-
10)
16(11)
21-
17;1-
5(2,3)
4/h4,7,9-
10H,2-
3,5-
6,8,20H2,1H3,(H,26,27)
;1H3,(H,2,3,4)
/b22-
14+;
InChIKey
JIYMVSQRGZEYAX-CWUUNJJBSA-N
SMILES
CS(O)(=O)=O.CO\N=C1/CN(CC1CN)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1
Roles Classification
Biological Role
(s):
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
gemifloxacin mesylate (
CHEBI:53749
)
has part
gemifloxacin (
CHEBI:101853
)
gemifloxacin mesylate (
CHEBI:53749
)
has role
antimicrobial agent (
CHEBI:33281
)
gemifloxacin mesylate (
CHEBI:53749
)
has role
topoisomerase IV inhibitor (
CHEBI:53559
)
gemifloxacin mesylate (
CHEBI:53749
)
is a
methanesulfonate salt (
CHEBI:38037
)
IUPAC Name
7-
[3-
(aminomethyl)-
4-
(methoxyimino)pyrrolidin-
1-
yl]-
1-
cyclopropyl-
6-
fluoro-
4-
oxo-
1,4-
dihydro-
1,8-
naphthyridine-
3-
carboxylic acid methanesulfonate
Manual Xrefs
Databases
D02471
KEGG DRUG
DB01155
DrugBank
View more database links
Registry Numbers
Types
Sources
210353-53-0
CAS Registry Number
ChemIDplus
210353-53-0
CAS Registry Number
KEGG DRUG
9176911
Beilstein Registry Number
Beilstein
Last Modified
04 December 2009