N-Demethyl Roxithromycin

Base Information

• Chemical Name: N-Demethyl Roxithromycin
• CAS No.: 118267-18-8
• Molecular Formula: C₄₀H₇₄N₂O₁₅
• Molecular Weight: 823.032
• DSSTox Substance ID: DTXSID60438789
• Mol file: 118267-18-8.mol

Synonyms:N-Demethylroxithromycin;N-Demethyl Roxithromycin;118267-18-8;(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one;DTXSID60438789;J-003725

Chemical Property of N-Demethyl Roxithromycin

Chemical Property:

• Melting Point: 96-98°C
• Storage Temp.: -20?C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 13
• Exact Mass: 822.50891966
• Heavy Atom Count: 57
• Complexity: 1280

Purity/Quality:

98% ^*data from raw suppliers

N-Demethyl roxithromycin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)NC)O)(C)O)C)C)O)(C)O
• Isomeric SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)O)C)C)O)(C)O
• Uses: A metabolite of Roxithromycin (R700850).

Technology Process of N-Demethyl Roxithromycin

There total 1 articles about N-Demethyl Roxithromycin 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: 80.0%

roxithromycin (80214-83-1) → (E)-N-Demethylroxithromycin (118267-18-8)

Guidance literature:

With sodium hydroxide; iodine; sodium acetate; In methanol; water; at 48 ℃;

upstream raw materials:

roxithromycin

Refernces

• 1、 -. "MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME". Page/Page column 112. . Retrieved 2008/12/07.