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Levonadifloxacin arginine

CAT: 0931-T88547-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T88547-01Size:25 mg
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CAS Number
306748-89-0
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Levonadifloxacin arginine ((S) - (-) -Nadifloxacin; WCK 771) is a broad-spectrum anti-staphylococcal agent. It exhibits antibacterial activity against both methicillin-susceptible Staphylococcus aureus (MSSA) and methicillin-resistant Staphylococcus aureus. Additionally, it reduces monocyte THP-1 phagocytosis of MRSA and MSSA strains.
Smiles
C(CCNC(=N)N)[C@@H](C(O)=O)N.O=C1C=2C3=C(C(=C(F)C2)N4CCC(O)CC4)CC[C@H](C)N3C=C1C(O)=O
Molecular Formula
C25H35FN6O6
Molecular Weight
534.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Wck 771

structure in first source

CAS Number306748-89-0
PubChem CID9850037
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(12S)-7-fluoro-8-(4-hydroxypiperidin-1-yl)-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
Molecular FormulaC25H35FN6O6
Molecular Weight534.6
Topological Polar Surface Area209
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity807
SMILES
C[C@H]1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(CC4)O)F)C(=O)O.C(C[C@@H](C(=O)O)N)CN=C(N)N
InChI
InChI=1S/C19H21FN2O4.C6H14N4O2/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21;7-4(5(11)12)2-1-3-10-6(8)9/h8-11,23H,2-7H2,1H3,(H,25,26);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t10-;4-/m00/s1
InChIKey
WIFOPRFVQIVWTB-YBVIJTQESA-N
Chemical Structure
2D Structure
2D structure of Wck 771
CAS: 306748-89-0
CID: 9850037
Formula: C25H35FN6O6
MW: 534.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight534.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass534.26021102
Monoisotopic Mass534.26021102
Topological Polar Surface Area209 Ų
Heavy Atom Count38
Formal Charge0
Complexity807
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