(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 hydrate (2:1)

Base Information

• Chemical Name: (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 hydrate (2:1)
• CAS No.: 138199-71-0
• Molecular Formula: 2C₁₈H₂₀FN₃O₄*H₂O
• Molecular Weight: 740.761
• Hs Code.: 2934990002
• UNII: 6GNT3Y5LMF
• DSSTox Substance ID: DTXSID60160533
• Wikidata: Q47495791
• NCI Thesaurus Code: C1586
• RXCUI: 82122
• Mol file: 138199-71-0.mol

Synonyms:Dynaquin;Levofloxacin hemihydrate;7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, hydrate(2:1), (S)-;

Chemical Property of (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 hydrate (2:1)

Chemical Property:

• Appearance/Colour: pale yellow solid
• Vapor Pressure: 6.7E-14mmHg at 25°C
• Melting Point: 214-216 °C
• Boiling Point: 571.5 °C at 760 mmHg
• Flash Point: 299.4 °C
• PSA: 84.24000
• Density: 1.48 g/cm³
• LogP: 1.48260
• Storage Temp.: -20°C Freezer
• Solubility.: Aqueous Base (Slightly), DMSO (Sparingly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 4
• Exact Mass: 740.29813326
• Heavy Atom Count: 53
• Complexity: 634

Purity/Quality:

99.9% ^*data from raw suppliers

Levofloxacin hemihydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 24/25-61-60

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.O
• Isomeric 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
• Recent EU Clinical Trials: Efficiency of an antibioprophylaxy (levofloxacin) in patient treated by azacitidine
• Uses: antibacterial Levofloxacin heMihydrate is an antibiotic used against gram-negative organisms. Levofloxacin Hemihydrate is a S-(-) form of Ofloxacin (O245750), an antibiotic used against gram-negative organisms.

Technology Process of (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 hydrate (2:1)

There total 3 articles about (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 hydrate (2:1) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 75.0%

C20H24FN3O4 (177472-30-9) → levofloxacin hemihydrate (138199-71-0,138199-72-1)

Guidance literature:

C₂₀H₂₄FN₃O₄; With sodium hydroxide; ethanol; water; for 1h; Heating / reflux;

With sulfuric acid; In ethanol; water; at 50 - 75 ℃; Product distribution / selectivity;

Reference yield:

1-methyl-piperazine (109-01-3) + levofloxacin Q-acid (100986-89-8) → levofloxacin hemihydrate (138199-71-0,138199-72-1)

Guidance literature:

In water; dimethyl sulfoxide; isopropyl alcohol;

Reference yield:

→ levofloxacin hemihydrate (138199-71-0,138199-72-1)

Guidance literature:

upstream raw materials:

C₂₀H₂₄FN₃O₄

1-methyl-piperazine

levofloxacin Q-acid

Refernces

• 1、 -. "Methods for the purification of levofloxacin". . . Retrieved 2008/06/13.