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Danofloxacin-[d3]

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General Information
Catalog: BLP-011749
CAS: 1217683-55-0
Molecular Formula: C19H17D3FN3O3
Molecular Weight: 360.40

Chemical Structure

Description	Danofloxacin-[d3] is the labelled analogue of Danofloxacin. Danofloxacin is a fluoroquinolone synthetic antibacterial agent, which mainly acts by inhibiting bacterial DNA gyrase.
Synonyms	Danofloxacin-D3; 1-Cyclopropyl-6-fluoro-7-(5-methyl-D3-2,5-diazabicyclo-[2.2.1]hept-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; Danofloxacin D3 (methyl-D3); Danofloxacine-d3; Danofloxacino-d3; Advocin-d3; Advocip-d3
IUPAC Name	1-cyclopropyl-6-fluoro-4-oxo-7-[(1S,4S)-5-(trideuteriomethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline-3-carboxylic acid
Related CAS	112398-08-0 (unlabelled)
Canonical SMILES	CN1CC2CC1CN2C3=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/i1D3
InChI Key	QMLVECGLEOSESV-DEPZVSDUSA-N
Purity	95% by HPLC; 98% atom D
Solubility	Soluble in Aqueous Base (Slightly), Chloroform (Very Slightly, Heated), Water (Slightly)
Appearance	Pale Yellow Solid
Storage	Store at -20°C