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Pradofloxacin

CAT: 0804-HY-W753904-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W753904-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pradofloxacin, a third-generation fluoroquinolone antibacterial agent. Pradofloxacin can be used for the study of bacterial infections in the dog and cat, such as skin infections[1].
CAS Number
195532-12-8
UNSPSC
12352005
Hazard Statement
H302, H341
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/pradofloxacin.html
Purity
98.02
Solubility
DMSO : 2 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
N#CC1=C2N(C3CC3)C=C(C(C2=CC(F)=C1N4C[C@@]5([H])[C@@](NCCC5)([H])C4)=O)C(O)=O
Molecular Formula
C21H21FN4O3
Molecular Weight
396.41
Precautions
H302, H341
References & Citations
[1]Lees P. Pharmacokinetics, pharmacodynamics and therapeutics of pradofloxacin in the dog and cat. J Vet Pharmacol Ther. 2013 Jun;36 (3) :209-21.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Pradofloxacin

Pradofloxacin is a 3rd generation fluoroquinolone antibiotic developed by Bayer HealthCare AG, Animal Health GmBH. It was approved by the European Commission in April 2011 for bacterial infections in dogs and cats.

CAS Number195532-12-8
PubChem CID9802884
IUPAC Name7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC21H21FN4O3
Molecular Weight396.4
XLogP0.4
Topological Polar Surface Area96.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity803
SMILES
C1C[C@H]2CN(C[C@H]2NC1)C3=C(C=C4C(=C3C#N)N(C=C(C4=O)C(=O)O)C5CC5)F
InChI
InChI=1S/C21H21FN4O3/c22-16-6-13-18(26(12-3-4-12)9-15(20(13)27)21(28)29)14(7-23)19(16)25-8-11-2-1-5-24-17(11)10-25/h6,9,11-12,17,24H,1-5,8,10H2,(H,28,29)/t11-,17+/m0/s1
InChIKey
LZLXHGFNOWILIY-APPDUMDISA-N
Chemical Structure
2D Structure
2D structure of Pradofloxacin
CAS: 195532-12-8
CID: 9802884
Formula: C21H21FN4O3
MW: 396.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.4
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass396.15976871
Monoisotopic Mass396.15976871
Topological Polar Surface Area96.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity803
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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