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Garenoxacin

CAT: 1299-RM-G132100-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G132100-01Size:10 mg
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CAS Number
194804-75-6
Synonyms
(R) -1-cyclopropyl-8- (difluoromethoxy) -7- (1-methylisoindolin-5-yl) -4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Molecular Formula
C23H20F2N2O4
Molecular Weight
426.42
Target Alternative Name
Garenoxacin
Product Name Synonym
(R) -1-cyclopropyl-8- (difluoromethoxy) -7- (1-methylisoindolin-5-yl) -4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Chemical Information

Garenoxacin

Garenoxacin is a quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid that is substituted by a cyclopropyl group at position 1, an oxo group at position 4, a (1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl group at position 7, and a difluoromethoxy group at position 8. It has a role as a non-steroidal anti-inflammatory drug and an antibacterial drug. It is a member of isoindoles, a quinolinemonocarboxylic acid, an aromatic ether, an organofluorine compound, a member of cyclopropanes and a quinolone antibiotic.

CAS Number194804-75-6
PubChem CID124093
IUPAC Name1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC23H20F2N2O4
Molecular Weight426.4
XLogP2.1
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity771
SMILES
C[C@@H]1C2=C(CN1)C=C(C=C2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC(F)F
InChI
InChI=1S/C23H20F2N2O4/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7-17-19(21(16)31-23(24)25)27(14-3-4-14)10-18(20(17)28)22(29)30/h2,5-8,10-11,14,23,26H,3-4,9H2,1H3,(H,29,30)/t11-/m1/s1
InChIKey
NJDRXTDGYFKORP-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Garenoxacin
CAS: 194804-75-6
CID: 124093
Formula: C23H20F2N2O4
MW: 426.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass426.13911345
Monoisotopic Mass426.13911345
Topological Polar Surface Area78.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity771
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

Alternative Products

CatalogName
T7179-01Garenoxacin
SYB81832Garenoxacin-d4

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