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Balofloxacin

CAT: 0804-HY-B0159-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0159-01Size:250 mg
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Description
Balofloxacin (Q-35) is an orally active fluoroquinolone antibiotic with broad-spectrum antibacterial activity against gram-negative, gram-positive, and anaerobic bacteria. Balofloxacin can be used for the research of respiratory, intestinal, and urinary tract infections[1][2].
CAS Number
127294-70-6
Product Name Alternative
Q-35
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Antibiotic; Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/balofloxacin.html
Purity
98.26
Solubility
DMSO : 0.67 mg/mL (ultrasonic) |H2O : < 0.1 mg/mL
Smiles
O=C(C1=CN(C2CC2)C3=C(C=C(F)C(N4CC(NC)CCC4)=C3OC)C1=O)O
Molecular Formula
C20H24FN3O4
Molecular Weight
389.42
Precautions
H302, H315, H319, H335
References & Citations
[1]Alksne L. Balofloxacin Choongwae. Curr Opin Investig Drugs. 2003 Feb;4 (2) :224-9.|[2]Jiang H, et, al. In vitro and in vivo effectiveness evaluation of balofloxacin in experimental Staphylococcus aureus keratitis. J Ocul Pharmacol Ther. 2014 Aug;30 (6) :482-8.|[3]Gohara Y, et, al. In vitro and in vivo activities of Q-35, a new fluoroquinolone, against Mycoplasma pneumonia. Antimicrob Agents Chemother. 1993 Sep;37 (9) :1826-30.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
Quinolone

Chemical Information

Balofloxacin

showed potent bactericidal activity & inhibited the supercoiling activity of DNA gyrase of S. aureus, E. coli, & P aeruginosa; structure given in first source

CAS Number127294-70-6
PubChem CID65958
IUPAC Name1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC20H24FN3O4
Molecular Weight389.4
XLogP0.6
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity668
SMILES
CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)
InChIKey
MGQLHRYJBWGORO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Balofloxacin
CAS: 127294-70-6
CID: 65958
Formula: C20H24FN3O4
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass389.17508442
Monoisotopic Mass389.17508442
Topological Polar Surface Area82.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes