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Pefloxacin Mesylate

CAT: 0607-B2003-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-B2003-100Size:100 mg
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Description
synthetic chemotherapeutic agent， antibacterial agent
CAS Number
70458-95-6
Product Name Alternative
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid
Field of Research
Microbiology & Virology Antibiotic
Purity
0.9959
Form
A solid
Solubility
insoluble in EtOH; ≥53.5 mg/mL in H2O; ≥6.83 mg/mL in DMSO
Smiles
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.CS(=O)(=O)O
Molecular Formula
C18H24FN3O6S
Molecular Weight
429.46
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Pefloxacin Mesylate

See also: Pefloxacin (has active moiety).

CAS Number70458-95-6
PubChem CID119525
IUPAC Name1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid
Molecular FormulaC18H24FN3O6S
Molecular Weight429.5
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity638
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.CS(=O)(=O)O
InChI
InChI=1S/C17H20FN3O3.CH4O3S/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4)
InChIKey
HQQSBEDKMRHYME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pefloxacin Mesylate
CAS: 70458-95-6
CID: 119525
Formula: C18H24FN3O6S
MW: 429.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass429.13698483
Monoisotopic Mass429.13698483
Topological Polar Surface Area127 Ų
Heavy Atom Count29
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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