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Danofloxacin Mesylate

CAT: 1489-D7680-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1489-D7680-01Size:100 mg
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CAS Number
119478-55-6
Purity
0.98

Chemical Information

Danofloxacin Mesylate

Danofloxacin mesylate is a member of quinolines.

CAS Number119478-55-6
PubChem CID71334
IUPAC Name1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid
Molecular FormulaC20H24FN3O6S
Molecular Weight453.5
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity771
SMILES
CN1C[C@@H]2C[C@H]1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F.CS(=O)(=O)O
InChI
InChI=1S/C19H20FN3O3.CH4O3S/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10;1-5(2,3)4/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26);1H3,(H,2,3,4)/t11-,12-;/m0./s1
InChIKey
APFDJSVKQNSTKF-FXMYHANSSA-N
Chemical Structure
2D Structure
2D structure of Danofloxacin Mesylate
CAS: 119478-55-6
CID: 71334
Formula: C20H24FN3O6S
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass453.13698483
Monoisotopic Mass453.13698483
Topological Polar Surface Area127 Ų
Heavy Atom Count31
Formal Charge0
Complexity771
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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