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108461-04-7

108461-04-7 Structure

108461-04-7 Structure
IdentificationBack Directory
[Name]

N-DESMETHYLDANOFLOXACIN
[CAS]

108461-04-7
[Synonyms]

DESMETHYLDANOFLOXACIN
N-DESMETHYLDANOFLOXACIN
CP-74416 methanesulfonate hydrate
CP-074416 methanesulfonate hydrate
N-desmethyldanofloxacin methanesulfonate hydrate
Danofloxacin Impurity 1(N-Desmethyl Danofloxacin)
1-Cyclopropyl-7-(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid
3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl-6-fluoro-1,4-dihydro-4-oxo-
1-Cyclopropyl-6-fluoro-1,4-dihydro-7-[(1β,4β)-3,6-diazabicyclo[2.2.1]heptan-3-yl]-4-oxoquinoline-3-carboxylic acid
1-Cyclopropyl-6-fluoro-7-[(1α,4α)-2,5-diazabicyclo[2.2.1]heptane-2-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
1-Cyclopropyl-7-(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid methanesulfonate hydrate
[Molecular Formula]

C18H18FN3O3
[MDL Number]

MFCD09840365
[MOL File]

108461-04-7.mol
[Molecular Weight]

343.35
Chemical PropertiesBack Directory
[Melting point ]

>220°C (dec.)
[storage temp. ]

room temp
[solubility ]

H2O: ≥22mg/mL
[form ]

powder
[color ]

white to tan
[Water Solubility ]

H2O: ≥22mg/mL
[InChI]

1S/C18H18FN3O3/c19-14-4-12-15(5-16(14)21-7-9-3-11(21)6-20-9)22(10-1-2-10)8-13(17(12)23)18(24)25/h4-5,8-11,20H,1-3,6-7H2,(H,24,25)/t9-,11-/m0/s1
[InChIKey]

LHZDPJRHQVYKPA-ONGXEEELSA-N
[SMILES]

Fc1cc2c(cc1N4[C@@H]5C[N+H2][C@H](C4)C5)N(C=C(C2=O)C(=O)[O-])C3CC3
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

A metabolite of Danofloxacin
[Uses]

A metabolite of Danofloxacin.
[Biological Activity]

CP-74416 is a primary Danofloxacin metabolite. The compound belongs to a group of quinolone antibiotic. CP-74416 is an inhibitor of the bacterial DNA gyrase.
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