| Identification | |
| Name: | Atipamezole hydrochloride |
| Synonyms: | 1H-Imidazole,4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-, monohydrochloride (9CI);1H-Imidazole,5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-, hydrochloride (1:1); |
| CAS: | 104075-48-1 |
| Molecular Formula: | C14H16N2. ClH |
| Molecular Weight: | 248.75 |
| InChI: | InChI=1/C14H16N2.ClH/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14;/h3-6,9-10H,2,7-8H2,1H3,(H,15,16);1H |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 178°C |
| Boiling Point: | 367.1°Cat760mmHg |
| Density: | 1.115g/cm3 |
| Specification: |
The Atipamezole hydrochloride with cas registry number of 104075-48-1 is a kind of API compounds. It has a systematic name which is called 5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole hydrochloride (1:1). And its IUPAC name is 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole hydrochloride. The physical properties about this chemical are: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 10.81; (6)ACD/BCF (pH 7.4): 270.94; (7)ACD/KOC (pH 5.5): 67.82; (8)ACD/KOC (pH 7.4): 1699.26; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Flash Point: 193.3 °C ; (13) Enthalpy of Vaporization: 65.88 kJ/mol; (14)Boiling Point: 396 °C at 760 mmHg; (15)Vapour Pressure: 1.17E-06 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Biological Activity: | Selective α 2 -adrenergic receptor antagonist (K i values are 1.1, 1.0, 0.89, 1300 and 6500 nM for α 2A , α 2B , α 2C , α 1A and α 1B receptors respectively). Brain penetrant. |
| Flash Point: | 178°C |
| Safety Data | |
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