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Levofloxacin-13C-D3

CAT: 1299-RM-L062444-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L062444-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1261398-33-7
Synonyms
(S) -9-fluoro-3-methyl-10- (4- (methyl-13C-d3) piperazin-1-yl) -7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
Molecular Formula
C1713CH17D3FN3O4
Molecular Weight
365.38
Target Alternative Name
Levofloxacin
Product Name Synonym
(S) -9-fluoro-3-methyl-10- (4- (methyl-13C-d3) piperazin-1-yl) -7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

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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