TROVAFLOXACIN MESYLATE

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Trade Names:
Synonyms:
Status: Approved (1997) Withdrawn (1999)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 0P1LKO80WN

Structure
InChI Key DYNZICQDCVYXFW-AHZSKCOESA-N
Smile CS(=O)(=O)O.N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12
InChI
InChI=1S/C20H15F3N4O3.CH4O3S/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24;1-5(2,3)4/h1-4,7,10-11,16H,5-6,24H2,(H,29,30);1H3,(H,2,3,4)/t10-,11+,16+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H19F3N4O6S
Molecular Weight 512.47
AlogP 1.89
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 101.45
Molecular species ZWITTERION
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial DNA gyrase inhibitor DailyMed

Related Entries

MCS

Scaffolds

Mixture

Cross References

Resources Reference
ChEBI 77568
ChEMBL CHEMBL1200779
EPA CompTox DTXSID0045701
FDA SRS 0P1LKO80WN
SureChEMBL SCHEMBL40874
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