Aclatonium napadisilate

Base Information

• Chemical Name: Aclatonium napadisilate
• CAS No.: 55077-30-0
• Molecular Formula: C30H44N2O14S2
• Molecular Weight: 720.81
• UNII: YX23434YHQ
• DSSTox Substance ID: DTXSID7048665
• Wikidata: Q27294755
• NCI Thesaurus Code: C91037
• ChEMBL ID: CHEMBL2106580
• Mol file: 55077-30-0.mol

Synonyms:acetyllactoylcholine-1,5-naphthalenedisulfonate;aclatonium napadisilate;TM 723

Chemical Property of Aclatonium napadisilate

Chemical Property:

• Appearance/Colour: White crystalline powder
• Melting Point: 189-191ºC
• PSA: 236.36000
• LogP: 3.18440
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 14
• Exact Mass: 722.23904649
• Heavy Atom Count: 48
• Complexity: 655

Purity/Quality:

99% ^*data from raw suppliers

AclatoniumNapadisilate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)OCC[N+](C)(C)C)OC(=O)C.CC(C(=O)OCC[N+](C)(C)C)OC(=O)C.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]
• Uses: Aclatonium Napadisilate is a useful bioactive therapeutic agent for autoimmune diseases. A cholinergic agonist.
• Therapeutic Function: Cholinergic

Technology Process of Aclatonium napadisilate

There total 1 articles about Aclatonium napadisilate 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: 84.0%

dimethyl 1,5-naphthalene disulfonate (20779-13-9) + acetolactylcholine monooxalate → Aclatonium Napadisilate (55077-30-0)

Guidance literature:

dimethyl 1,5-naphthalene disulfonate; acetolactylcholine monooxalate; In ethanol; for 12h; Reflux; Large scale;

With pyrographite; In ethanol; for 1h; Reflux; Large scale;

upstream raw materials:

dimethyl 1,5-naphthalene disulfonate

Refernces