Delafloxacin meglumineProduct ingredient for Delafloxacin

Show full entry for Delafloxacin
Name
Delafloxacin meglumine
Drug Entry
Delafloxacin

Delafloxacin is a fluoroquinolone antibiotic which has been used in trials studying the treatment and basic science of Gonorrhea, Hepatic Impairment, Bacterial Skin Diseases, Skin Structure Infections, and Community Acquired Pneumonia, among others. It was approved in June 2017 under the trade name Baxdela for use in the treatment of acute bacterial skin and skin structure infections.

See full entry for Delafloxacin
Accession Number
DBSALT002486
Structure
Similar Structures
Synonyms
Not Available
UNII
N7V53U4U4T
CAS Number
352458-37-8
Weight
Average: 635.98
Monoisotopic: 635.1605897
Chemical Formula
C25H29ClF3N5O9
InChI Key
AHJGUEMIZPMAMR-WZTVWXICSA-N
InChI
InChI=1S/C18H12ClF3N4O4.C7H17NO5/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
IUPAC Name
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol; 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.NC1=C(F)C=C(F)C(=N1)N1C=C(C(O)=O)C(=O)C2=C1C(Cl)=C(N1CC(O)C1)C(F)=C2
ChemSpider
9752981
ChEMBL
CHEMBL2105638
Wikipedia
Delafloxacin
Predicted Properties
PropertyValueSource
Water Solubility0.0699 mg/mLALOGPS
logP1.67ALOGPS
logP2.56Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)5.62Chemaxon
pKa (Strongest Basic)-1.3Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area119.99 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity101.33 m3·mol-1Chemaxon
Polarizability38.13 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon