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Levonadifloxacin

CAT: 0607-BA1115-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1115-10Size:10 mg
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CAS Number
154357-42-3
Form
A solid
Molecular Formula
C19H21FN2O4
Molecular Weight
360.38
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Levonadifloxacin

(S)-nadifloxacin is a nadifloxacin. It is an enantiomer of a (R)-nadifloxacin.

CAS Number154357-42-3
PubChem CID9850038
IUPAC Name(12S)-7-fluoro-8-(4-hydroxypiperidin-1-yl)-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
Molecular FormulaC19H21FN2O4
Molecular Weight360.4
XLogP2.9
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity631
SMILES
C[C@H]1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(CC4)O)F)C(=O)O
InChI
InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h8-11,23H,2-7H2,1H3,(H,25,26)/t10-/m0/s1
InChIKey
JYJTVFIEFKZWCJ-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of Levonadifloxacin
CAS: 154357-42-3
CID: 9850038
Formula: C19H21FN2O4
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass360.14853532
Monoisotopic Mass360.14853532
Topological Polar Surface Area81.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity631
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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