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Fluoroquinolonic acid

CAT: 0804-HY-W002677-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W002677-01Size:100 mg
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Description
Fluoroquinolonic acid is a bacteriostatic antibiotic. Fluoroquinolonic acid has broad-spectrum activity against Gram-positive and Gram-negative bacteria[1].
CAS Number
86393-33-1
UNSPSC
12352005
Hazard Statement
H302, H412
Target
Antibiotic; Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/fluoroquinolonic-acid.html
Purity
99.92
Solubility
DMSO : 16.67 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=CN(C2CC2)C3=C(C=C(F)C(Cl)=C3)C1=O)O
Molecular Formula
C13H9ClFNO3
Molecular Weight
281.67
Precautions
H302, H412
References & Citations
[1]Ching C, et, al. Impact of ciprofloxacin impurities on bacterial growth, antibiotic resistance development and content assays. Lett Appl Microbiol. 2021 Aug;73 (2) :220-228.|[2]Ching C, et, al. Impact of ciprofloxacin impurities on bacterial growth, antibiotic resistance development and content assays. Lett Appl Microbiol. 2021 Aug;73 (2) :220-228.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Fluoroquinolonic acid
CAS Number86393-33-1
PubChem CID483180
IUPAC Name7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC13H9ClFNO3
Molecular Weight281.66
XLogP2.4
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity463
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)Cl)F)C(=O)O
InChI
InChI=1S/C13H9ClFNO3/c14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6/h3-6H,1-2H2,(H,18,19)
InChIKey
ISPVACVJFUIDPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluoroquinolonic acid
CAS: 86393-33-1
CID: 483180
Formula: C13H9ClFNO3
MW: 281.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.66
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass281.0254990
Monoisotopic Mass281.0254990
Topological Polar Surface Area57.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity463
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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