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Levofloxacin hemihydrate

CAT: 0926-FL24883-01Size: 0.25 kgDry Ice: NoHazardous: No
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CAT#:0926-FL24883-01Size:0.25 kg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
138199-71-0
Synonyms
(-) - (S) -9-Fluoro-2,3-dihydro-3-methyl-10- (4-methyl-1-piperazinyl) -7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid hemihy drate; Dynaquin; Levofloxacin hydrate
MDL Number
MFCD00869643
Smiles
C[C@H]1COC2=C3N1C=C (C (=O) C3=CC (=C2N4CCN (CC4) C) F) C (=O) O.C[C@H]1COC2=C3N1C=C (C (=O) C3=CC (=C2N4CCN (CC4) C) F) C (=O) O.O
Molecular Formula
C18H20FN3O4·1⁄2H2O
Molecular Weight
370.38 g/mol
Controlled
No

Chemical Information

Levofloxacin Hydrate

Levofloxacin is a synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication. Levofloxacin is marketed by Ortho-McNeil under the trade name Levaquin. Chemically, levofloxacin is the S-enantiomer (L-isomer) of ofloxacin.

CAS Number138199-71-0
PubChem CID3033924
IUPAC Namebis((2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid);hydrate
Molecular FormulaC36H42F2N6O9
Molecular Weight740.7
Topological Polar Surface Area148
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count4
Heavy Atom Count53
Formal Charge0
Complexity634
SMILES
C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.O
InChI
InChI=1S/2C18H20FN3O4.H2O/c2*1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21;/h2*7-8,10H,3-6,9H2,1-2H3,(H,24,25);1H2/t2*10-;/m00./s1
InChIKey
SUIQUYDRLGGZOL-RCWTXCDDSA-N
Chemical Structure
2D Structure
2D structure of Levofloxacin Hydrate
CAS: 138199-71-0
CID: 3033924
Formula: C36H42F2N6O9
MW: 740.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight740.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count4
Exact Mass740.29813326
Monoisotopic Mass740.29813326
Topological Polar Surface Area148 Ų
Heavy Atom Count53
Formal Charge0
Complexity634
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-L360000-100MGLevofloxacin Hemihydrate
L2051-35Levofloxacin Hemihydrate ((-) - (S) -9-Fluoro-2,3-dihydro-3-methyl-10- (4-methyl-1-piperazinyl) -7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid, Hemihydrate)
MBS6074883-01Levofloxacin Hemihydrate ((-)-(S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid, Hemihydrate)
MBS3846483-01Levofloxacin

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