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Descarboxyl Levofloxacin

CAT: 1596-AR-L13550-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L13550-01Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
178964-53-9
Synonyms
(3S) -9-Fluoro-2,3-dihydro-3-methyl-10- (4-methyl-1-piperazinyl) -7H-pyrido[1,2,3-de]-1,4-benzoxazin-7-one; Levofloxacin Descarboxy Impurity; Levofloxacin EP Impurity E
Molecular Formula
C17H20FN3O2
Molecular Weight
317.36
API Name
Levofloxacin

Chemical Information

Decarboxyl ofloxacin, (S)-
CAS Number178964-53-9
PubChem CID10925166
IUPAC Name(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraen-10-one
Molecular FormulaC17H20FN3O2
Molecular Weight317.36
XLogP1.6
Topological Polar Surface Area36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity506
SMILES
C[C@H]1COC2=C3N1C=CC(=O)C3=CC(=C2N4CCN(CC4)C)F
InChI
InChI=1S/C17H20FN3O2/c1-11-10-23-17-15-12(14(22)3-4-21(11)15)9-13(18)16(17)20-7-5-19(2)6-8-20/h3-4,9,11H,5-8,10H2,1-2H3/t11-/m0/s1
InChIKey
XTLCAWXSWVQNHK-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Decarboxyl ofloxacin, (S)-
CAS: 178964-53-9
CID: 10925166
Formula: C17H20FN3O2
MW: 317.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.36
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass317.15395505
Monoisotopic Mass317.15395505
Topological Polar Surface Area36 Ų
Heavy Atom Count23
Formal Charge0
Complexity506
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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