ALATROFLOXACIN MESYLATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1997) Withdrawn (2006)
Entry Type: Small molecule
Molecule Category: UNKNOWN Prodrug
UNII: 2IXX802851

Structure
InChI Key CYETUYYEVKNSHZ-LGOOQLFJSA-N
Smile CS(=O)(=O)O.C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21
InChI
InChI=1S/C26H25F3N6O5.CH4O3S/c1-10(30)24(37)31-11(2)25(38)32-20-14-7-34(8-15(14)20)23-18(29)6-13-21(36)16(26(39)40)9-35(22(13)33-23)19-4-3-12(27)5-17(19)28;1-5(2,3)4/h3-6,9-11,14-15,20H,7-8,30H2,1-2H3,(H,31,37)(H,32,38)(H,39,40);1H3,(H,2,3,4)/t10-,11-,14-,15+,20+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H29F3N6O8S
Molecular Weight 654.62
AlogP 0.9
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 159.65
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 40.0

Pharmacology

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

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
100.0

Cross References

Resources Reference
ChEMBL CHEMBL1200498
EPA CompTox DTXSID2057655
FDA SRS 2IXX802851
PubChem 5282517
SureChEMBL SCHEMBL41134
CONTENTS