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Danofloxacin free base

CAT: 1410-M21121-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Danofloxacin is a fluoroquinolone antibiotic used in veterinary medicine.
CAS Number
112398-08-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
357.38
Molecular Formula
C19H20FN3O3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Danofloxacin

Danofloxacin is a member of quinolines.

CAS Number112398-08-0
PubChem CID71335
IUPAC Name1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC19H20FN3O3
Molecular Weight357.4
XLogP-0.3
Topological Polar Surface Area64.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity679
SMILES
CN1C[C@@H]2C[C@H]1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F
InChI
InChI=1S/C19H20FN3O3/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/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1
InChIKey
QMLVECGLEOSESV-RYUDHWBXSA-N
Chemical Structure
2D Structure
2D structure of Danofloxacin
CAS: 112398-08-0
CID: 71335
Formula: C19H20FN3O3
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass357.14886967
Monoisotopic Mass357.14886967
Topological Polar Surface Area64.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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