SITAFLOXACIN

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Synonyms
Status
Molecule Category Mixture
ATC J01MA21
UNII 45IP57B62B

Structure

InChI Key PNUZDKCDAWUEGK-CYZMBNFOSA-N
Smiles N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)CC12CC2
InChI
InChI=1S/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/t10-,12+,13+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H18ClF2N3O3
Molecular Weight 409.82
AlogP 2.7
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 88.56
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Bacterial DNA gyrase inhibitor INHIBITOR Other PubMed

Cross References

Resources Reference
ChEMBL CHEMBL3989504
FDA SRS 45IP57B62B
Guide to Pharmacology 11040
PubChem 72734323
SureChEMBL SCHEMBL1060786
ChEBI 4304
ChEMBL CHEMBL108821
DrugCentral 2449
FDA SRS 3GJC60U4Q8
Guide to Pharmacology 11040
PubChem 72734323
SureChEMBL SCHEMBL74553
ZINC ZINC000003795983
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