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Levofloxacin-13C, d3

CAT: 0804-HY-B0330S2Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0330S2Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Levofloxacin-13C, d3 is the 13C- and deuterium labeled Levofloxacin.
CAS Number
1261398-33-7
Product Name Alternative
(-) -Ofloxacin-13C, d3
UNSPSC
12352005
Hazard Statement
H302, H317, H334, H361, H362
Target
Antibiotic; Bacterial; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Others
Applications
COVID-19-immunoregulation
Field of Research
Infection
Purity
98.76
Solubility
10 mM in DMSO|DMSO : 10mg/mL (ultrasonic) |H2O : ≥ 5mg/mL
Smiles
O=C1C2=CC(F)=C(N3CCN(CC3)[13C]([2H])([2H])[2H])C4=C2N(C=C1C(O)=O)[C@@H](C)CO4
Molecular Formula
C17 13CH17D3FN3O4
Molecular Weight
365.38
Precautions
H302, H317, H334, H361, H362
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-223.|[2]Lee, B.T., et al., Efficacy of Levofloxacin in the Treatment of BK Viremia: A Multicenter, Double-Blinded, Randomized, Placebo-Controlled Trial. Clin J Am Soc Nephrol, 2014.|[3]Pradeep, A.R., et al., Clinical and microbiological effects of levofloxacin in the treatment of chronic periodontitis: a randomized, placebo-controlled clinical trial. J Investig Clin Dent, 2014.|[4]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
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Levofloxacin-13C,d3
CAS Number1261398-33-7
PubChem CID49849761
IUPAC Name(2S)-7-fluoro-2-methyl-10-oxo-6-[4-(trideuterio(113C)methyl)piperazin-1-yl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular FormulaC18H20FN3O4
Molecular Weight365.38
XLogP-0.4
Topological Polar Surface Area73.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity634
SMILES
[2H][13C]([2H])([2H])N1CCN(CC1)C2=C(C=C3C4=C2OC[C@@H](N4C=C(C3=O)C(=O)O)C)F
InChI
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1/i2+1D3
InChIKey
GSDSWSVVBLHKDQ-BSEWDJTNSA-N
Chemical Structure
2D Structure
2D structure of Levofloxacin-13C,d3
CAS: 1261398-33-7
CID: 49849761
Formula: C18H20FN3O4
MW: 365.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.38
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass365.16596936
Monoisotopic Mass365.16596936
Topological Polar Surface Area73.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity634
Isotope Atom Count4
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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