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Levofloxacin Diamine Impurity

CAT: 1596-AR-L13578-01Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-L13578-01Size:150
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CAS Number
1797510-34-9
Synonyms
Ofloxacin 2-?Aminoethy; (3S) ?-10-?[ (2-?aminoethyl) ?amino]?-?9-?fluoro-?2, ?3-?dihydro-?3-?methyl-?7-?oxo-7H-?Pyrido[1, ?2, ?3-?de]?-?1, ?4-?benzoxazine-?6-?carboxylic acid
Molecular Formula
C15H16FN3O4
Molecular Weight
321.31
API Name
Levofloxacin

Chemical Information

Levofloxacin impurity 18
CAS Number1797510-34-9
PubChem CID125396381
IUPAC Name(2S)-6-(2-aminoethylamino)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular FormulaC15H16FN3O4
Molecular Weight321.30
XLogP-1.3
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity541
SMILES
C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2NCCN)F)C(=O)O
InChI
InChI=1S/C15H16FN3O4/c1-7-6-23-14-11(18-3-2-17)10(16)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7,18H,2-3,6,17H2,1H3,(H,21,22)/t7-/m0/s1
InChIKey
TUQVWTUNZIJAQI-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of Levofloxacin impurity 18
CAS: 1797510-34-9
CID: 125396381
Formula: C15H16FN3O4
MW: 321.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.30
XLogP3-1.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass321.11248416
Monoisotopic Mass321.11248416
Topological Polar Surface Area105 Ų
Heavy Atom Count23
Formal Charge0
Complexity541
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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