MOXIFLOXACIN HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII C53598599T
EPA CompTox DTXSID4045921
Parent Compound: MOXIFLOXACIN

Structure

InChI Key IDIIJJHBXUESQI-DFIJPDEKSA-N
Smiles COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl
InChI
InChI=1S/C21H24FN3O4.ClH/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H/t11-,16+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25ClFN3O4
Molecular Weight 437.9
AlogP 2.37
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 83.8
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Bacterial DNA gyrase inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 94.01-105.96
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 94.01-105.96

Cross References

Resources Reference
ChEBI 7008
ChEMBL CHEMBL1200735
FDA SRS C53598599T
KEGG D08237
PDB FX
PubChem 101526
SureChEMBL SCHEMBL37285
ZINC ZINC03826253
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