Rezatomidine

Base Information

• Chemical Name: Rezatomidine
• CAS No.: 847829-38-3
• Molecular Formula: C13H16N2S
• Molecular Weight: 232.349
• UNII: W5LMZ0RC8I
• ChEMBL ID: CHEMBL2107366
• DSSTox Substance ID: DTXSID00233811
• Metabolomics Workbench ID: 153186
• NCI Thesaurus Code: C152207
• Wikidata: Q27292343
• Mol file: 847829-38-3.mol

Synonyms:Rezatomidine;847829-38-3;UNII-W5LMZ0RC8I;AGN 203818 free base;AGN-203818;W5LMZ0RC8I;Rezatomidine [USAN:INN];4-(1-(2,3-Dimethylphenyl)ethyl)-1,3-dihydro-2H-imidazole-2-thione;2H-Imidazole-2-thione, 4-(1-(2,3-dimethylphenyl)ethyl)-1,3-dihydro-;4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1,3-dihydroimidazole-2-thione;(+)-4-((1S)-1-(2,3-Dimethylphenyl)ethyl)-1,3-dihydro-2H-imidazole-2-thione;2H-Imidazole-2-thione, 4-((1S)-1-(2,3-dimethylphenyl)ethyl)-1,3-dihydro-;(S)-4-(1-(2,3-dimethylphenyl)ethyl)-1,3-dihydro-2H-imidazole-2-thione;AGN 203818;Rezatomidine (USAN/INN);REZATOMIDINE [INN];REZATOMIDINE [USAN];REZATOMIDINE [WHO-DD];SCHEMBL676215;CHEMBL2107366;SCHEMBL12266804;DTXSID00233811;AGN-203818 FREE BASE;AGN203818;AKOS040753744;DB12143;TS-08784;NS00071027;D09957;Q27292343;4-((1S)-1-(2,3-DIMETHYLPHENYL)ETHYL)-1,3-DIHYDRO-2H-IMIDAZOL-2-THIONE

Chemical Property of Rezatomidine

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 232.10341969
• Heavy Atom Count: 16
• Complexity: 311

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C(C)C2=CNC(=S)N2)C
• Isomeric SMILES: CC1=C(C(=CC=C1)[C@H](C)C2=CNC(=S)N2)C
• Recent ClinicalTrials: Safety and Efficacy of AGN 203818 for Pain Associated With Fibromyalgia Syndrome
• Recent EU Clinical Trials: A multicenter, multiple dose, double-blind, randomized, placebo-controlled, parallel group study of the safety and efficacy of AGN 203818 in female patients with fibromyalgia syndrome.

Technology Process of Rezatomidine

There total 1 articles about Rezatomidine 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: 53.0%

dexmedetomidine (113775-47-6) → Rezatomidine (847829-38-3)

Guidance literature:

With sodium hydrogencarbonate; phenylcarbonochloridothioate; In tetrahydrofuran; water; at 20 ℃; for 4h;

Reference yield:

Rezatomidine (847829-38-3) → 2,2'-bis{4-[(S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazolyl}disulfide (1170722-31-2)

Guidance literature:

With manganese(IV) oxide; In 1,4-dioxane; at 20 ℃; for 48h;

upstream raw materials:

dexmedetomidine

Downstream raw materials:

2,2'-bis{4-[(S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazolyl}disulfide

Refernces

• 1、 -. "Nonsedating alpha-2 agonists". Page/Page column 8. . Retrieved 2008/06/13.