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Levofloxacin N-oxide

CAT: 0931-T38003-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T38003-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117678-38-3
Target
Others, Drug Metabolite
Related Pathways
Metabolism, Others
Purity
0.9984
Bioactivity
Levofloxacin N-oxide is an impurity isolated from levofloxacin.
Smiles
O=C1C=2C3=C(C(=C(F)C2)N4CCN(C)(=O)CC4)OC[C@H](C)N3C=C1C(O)=O
Molecular Formula
C18H20FN3O5
Molecular Weight
377.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Levofloxacin N-oxide
CAS Number117678-38-3
PubChem CID10970860
IUPAC Name(2S)-7-fluoro-2-methyl-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular FormulaC18H20FN3O5
Molecular Weight377.4
XLogP1.3
Topological Polar Surface Area88.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity678
SMILES
C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CC[N+](CC4)(C)[O-])F)C(=O)O
InChI
InChI=1S/C18H20FN3O5/c1-10-9-27-17-14-11(16(23)12(18(24)25)8-21(10)14)7-13(19)15(17)20-3-5-22(2,26)6-4-20/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1
InChIKey
MVLAUMUQGRQERL-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of Levofloxacin N-oxide
CAS: 117678-38-3
CID: 10970860
Formula: C18H20FN3O5
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass377.13869891
Monoisotopic Mass377.13869891
Topological Polar Surface Area88.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity678
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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