Atipamezole

Base Information

• Chemical Name: Atipamezole
• CAS No.: 104054-27-5
• Molecular Formula: C₁₄H₁₆N₂
• Molecular Weight: 212.294
• UNII: 03N9U5JAF6
• DSSTox Substance ID: DTXSID2049135
• Nikkaji Number: J134.051D
• Wikipedia: Atipamezole
• Wikidata: Q413894
• NCI Thesaurus Code: C72921
• RXCUI: 18475
• Pharos Ligand ID: YCKSLHK25A2G
• Metabolomics Workbench ID: 152671
• ChEMBL ID: CHEMBL353972
• Mol file: 104054-27-5.mol

Synonyms:1H-imidazole, 4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-;antipamezole;atipamezole;MPV 1248;MPV-1248

Chemical Property of Atipamezole

Chemical Property:

• Appearance/Colour: Off-white to light yellow crystal powder
• Vapor Pressure: 2.95E-05mmHg at 25°C
• Refractive Index: 1.594
• Boiling Point: 367.131 °C at 760 mmHg
• PKA: 14.05±0.10(Predicted)
• Flash Point: 178.006 °C
• PSA: 28.68000
• Density: 1.116 g/cm³
• LogP: 2.85630
• Storage Temp.: room temp
• Solubility.: DMSO: ≥30mg/mL
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 212.131348519
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

99%, ^*data from raw suppliers

Atipamezole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(CC2=CC=CC=C2C1)C3=CN=CN3
• Recent ClinicalTrials: Competition With Striatal [11C]ORM-13070 Binding by Atipamezole and Endogenous Noradrenaline
• Uses: Antagonist (α2-receptor). Atipamezole has been used as a α2-adrenoceptor antagonist in mesencephalic trigeminal nucleus (MTN) neurons, CD4+ T-lymphocyte and human embryonic kidney (HEK293) membrane preparation.
• Therapeutic Function: Antihypertensive

Technology Process of Atipamezole

There total 1 articles about Atipamezole 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:

4-(2-ethyl-1-indanone-2-yl)imidazole → atipamezole (104054-27-5)

Guidance literature:

With hydrazine hydrate; sodium hydroxide; In water; diethylene glycol; at 175 ℃; for 7h; Solvent; Temperature; Inert atmosphere;

Reference yield:

atipamezole (104054-27-5) → atipamezole hydrochloride (104075-48-1)

Guidance literature:

With hydrogenchloride; In water;

Downstream raw materials:

atipamezole hydrochloride

Refernces