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Balofloxacin

CAT: 0024-sc-337546Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-337546Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
127294-70-6

Chemical Information

Balofloxacin

showed potent bactericidal activity & inhibited the supercoiling activity of DNA gyrase of S. aureus, E. coli, & P aeruginosa; structure given in first source

CAS Number127294-70-6
PubChem CID65958
IUPAC Name1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC20H24FN3O4
Molecular Weight389.4
XLogP0.6
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity668
SMILES
CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)
InChIKey
MGQLHRYJBWGORO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Balofloxacin
CAS: 127294-70-6
CID: 65958
Formula: C20H24FN3O4
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass389.17508442
Monoisotopic Mass389.17508442
Topological Polar Surface Area82.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B2080-10000Balofloxacin
C6394-100Balofloxacin Dihydrate

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