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Desmethyl Levofloxacin

CAT: 0804-HY-135389-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-135389-01Size:5 mg
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Description
Desmethyl Levofloxacin is a metabolite of Levofloxacin. Levofloxacin, a synthetic fluoroquinolone, is an antibacterial agent that inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication[1].
CAS Number
117707-40-1
UNSPSC
12352005
Hazard Statement
H302
Target
Antibiotic; Drug Metabolite
Type
Reference compound
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/desmethyl-levofloxacin.html
Purity
99.77
Solubility
DMSO : 8.33 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C(C1=O)=CN2[C@@H](C)COC3=C(N4CCNCC4)C(F)=CC1=C23)O
Molecular Formula
C17H18FN3O4
Molecular Weight
347.35
Precautions
H302
References & Citations
[1]Siva, R., et al., Effect of levofloxacin on neutrophilic airway inflammation in stable COPD: a randomized, double-blind, placebo-controlled trial. Int J Chron Obstruct Pulmon Dis, 2014. 9: p. 179-86.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Quinolone

Chemical Information

N-Desmethyl levofloxacin

Ofloxacin impurity e is a member of quinolines.

CAS Number117707-40-1
PubChem CID10958963
IUPAC Name(2S)-7-fluoro-2-methyl-10-oxo-6-piperazin-1-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular FormulaC17H18FN3O4
Molecular Weight347.34
XLogP-0.9
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity607
SMILES
C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCNCC4)F)C(=O)O
InChI
InChI=1S/C17H18FN3O4/c1-9-8-25-16-13-10(15(22)11(17(23)24)7-21(9)13)6-12(18)14(16)20-4-2-19-3-5-20/h6-7,9,19H,2-5,8H2,1H3,(H,23,24)/t9-/m0/s1
InChIKey
WKRSSAPQZDHYRV-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of N-Desmethyl levofloxacin
CAS: 117707-40-1
CID: 10958963
Formula: C17H18FN3O4
MW: 347.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.34
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass347.12813423
Monoisotopic Mass347.12813423
Topological Polar Surface Area82.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity607
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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