Cevimeline

Base Information

• Chemical Name: Cevimeline
• CAS No.: 124620-88-8
• Molecular Formula: C10H17NOS
• Molecular Weight: 199.317
• DSSTox Substance ID: DTXSID40274384
• Nikkaji Number: J621.334K
• Wikipedia: Cevimeline
• Wikidata: Q3665683
• NCI Thesaurus Code: C66873
• RXCUI: 44281
• Pharos Ligand ID: L81CS5V2U85S
• ChEMBL ID: CHEMBL168815
• Mol file: 124620-88-8.mol

Synonyms:2-methyspiro(1,3-oxathiolane-5,3)quinuclidine;AF 102B;AF 102B, (cis-(+))-isomer;AF 102B, (trans)-isomer;AF-102B;AF102B;cevimeline;cevimeline hydrochloride;Evoxac;FKS 508;FKS-508;SNI 2011;SNI-2011

Chemical Property of Cevimeline

Chemical Property:

• Boiling Point: 308.5±42.0 °C(Predicted)
• PKA: 9.51±0.40(Predicted)
• PSA: 37.77000
• Density: 1.19±0.1 g/cm3(Predicted)
• LogP: 1.49810
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 199.10308534
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Drug Classes: Sj?gren Syndrome Agents
• Canonical SMILES: CC1OC2(CN3CCC2CC3)CS1
• Recent ClinicalTrials: Efficacy of Cevimeline Versus Pilocarpine in the Secretion of Saliva

Technology Process of Cevimeline

There total 3 articles about Cevimeline 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:

3-hydroxy-3-(mercaptomethyl)quinuclidine (107220-26-8,158568-64-0) + acetaldehyde (75-07-0,9002-91-9) → 2-methylspiro(1,3-oxathiolane-5,3'-quinuclidine) (124620-88-8,107220-27-9,107233-08-9)

Guidance literature:

With sodium hydroxide; sulfuric acid; sodium sulfate; In chloroform;

Reference yield:

3-hydroxy-3-(mercaptomethyl)quinuclidine (107220-26-8,158568-64-0) + BF3.ethyl ether + acetaldehyde (75-07-0,9002-91-9) → 2-methylspiro(1,3-oxathiolane-5,3'-quinuclidine) (124620-88-8,107220-27-9,107233-08-9)

Guidance literature:

With sodium hydroxide; sulfuric acid; In chloroform;

Reference yield:

→ 2-methylspiro(1,3-oxathiolane-5,3'-quinuclidine) (124620-88-8,107220-27-9,107233-08-9)

Guidance literature:

upstream raw materials:

3-hydroxy-3-(mercaptomethyl)quinuclidine

acetaldehyde

Downstream raw materials:

hexane

3-hydroxy-3-(mercaptomethyl)quinuclidine

Refernces

• 1、 -. "Method for producing 2-methylspiro(1,3-oxathiolane-5,3')quinuclidine". . . Retrieved 2008/06/13.
• 2、 -. "Composition and method for treating Sjoegren syndrome disease". . . Retrieved 2008/06/13.