Atipamezole Hydrochloride

Base Information

• Chemical Name: Atipamezole Hydrochloride
• CAS No.: 104075-48-1
• Molecular Formula: C₁₄H₁₆N₂*(x)ClH
• Molecular Weight: 248.75
• Hs Code.: 2933290090
• European Community (EC) Number: 681-922-6
• UNII: 2W4279571X
• ChEMBL ID: CHEMBL2361649
• DSSTox Substance ID: DTXSID2048583
• NCI Thesaurus Code: C80011
• RXCUI: 390043
• Wikidata: Q27255684
• Mol file: 104075-48-1.mol

Synonyms:Atipamezole hydrochloride;104075-48-1;Atipamezole HCl;Atipamezole (hydrochloride);4-(2-Ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole hydrochloride;MPV-1248 hydrochloride;1H-Imidazole, 4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-, monohydrochloride;DTXSID2048583;UNII-2W4279571X;2W4279571X;DTXCID8028509;MFCD06407819;104075-48-1 (HCl);5-(2-Ethyl-2,3-dihydro-1H-indene-2-yl)-1H-imidazole hydrochloride;ATIPAMEZOLE HYDROCHLORIDE (MART.);ATIPAMEZOLE HYDROCHLORIDE [MART.];NCGC00182707-02;Cropamezole;4-(2-Ethyl-2-indanyl)imidazole hydrochloride;5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-1H-Imidazole hydrochloride;REVERTIDINE;Atipamezolehydrochloride;Atipamezol Hydrochloride;MPV1248 hydrochloride;MPV 1248 hydrochloride;SCHEMBL203964;CHEMBL2361649;5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole;hydrochloride;AMY10903;BCP04113;Tox21_112912;s4649;ATIPAMEZOLE HYDROCHLORIDE [MI];AKOS015918212;AKOS025401424;AC-1613;BCP9000339;CCG-266950;CS-3389;AS-66133;HY-12380;SY057281;CAS-104075-48-1;ATIPAMEZOLE HYDROCHLORIDE [GREEN BOOK];F20658;5-(2-Ethyl-indan-2-yl)-1H-imidazole hydrochloride;J-504668;Q27255684;Atipamezole hydrochloride 100 microg/mL in Acetonitrile;Atipamezole HCL;Unii-2W4279571x;Atipamezole Hydrochloride;1H-Imidazole, 4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-, monohydrochloride (9CI);Antisedan;1H-Imidazole, 5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-, hydrochloride (1:1)

Chemical Property of Atipamezole Hydrochloride

Chemical Property:

• Vapor Pressure: 1.17E-06mmHg at 25°C
• Melting Point: 211-215°
• Boiling Point: 396 °C at 760 mmHg
• Flash Point: 193.3 °C
• PSA: 28.68000
• Density: 1.115g/cm3
• LogP: 3.65830
• Storage Temp.: Desiccate at RT
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 248.1080262
• Heavy Atom Count: 17
• Complexity: 237

Purity/Quality:

99%, ^*data from raw suppliers

Atipamezole (hydrochloride) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1(CC2=CC=CC=C2C1)C3=CN=CN3.Cl
• Uses: Atipamezole Hydrochloride, is the a synthetic α2-adrenergic antagonist, usually used to reverse the sedative and analgesic effects of dexmedetomidine and medetomidine in dogs. It has also been shown to be used as possible anti-Parkinsonian drug in humans.

Technology Process of Atipamezole Hydrochloride

There total 3 articles about Atipamezole Hydrochloride 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: 77.3%

→ atipamezole hydrochloride (104075-48-1)

Guidance literature:

In water; acetonitrile; at 75 - 80 ℃; Purification / work up;

Reference yield:

2-ethyl-2-(1H-imidazol-1-yl)indan-1,3-dione hydrochloride → atipamezole hydrochloride (104075-48-1)

Guidance literature:

With hydrogenchloride; hydrogen; palladium 10% on activated carbon; In water; at 80 - 85 ℃; for 6h; under 2250.23 Torr;

Reference yield:

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

Guidance literature:

With hydrogenchloride; In water;

upstream raw materials:

atipamezole

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF 5-(2-ETHYL-DIHYDRO-1H-INDEN-2-YL)-1H-IMIDAZOLE AND SALTS THEREOF". Page/Page column 9. . Retrieved 2009/07/17.