4-[(2,3-dimethylphenyl)methyl]-1H-imidazole hydrochloride

• ChemBase ID: 72755
• Molecular Formular: C12H15ClN2
• Molecular Mass: 222.7139
• Monoisotopic Mass: 222.09237617
• SMILES: c1(cccc(c1C)C)Cc1nc[nH]c1.Cl
• Canonical SMILES: Cc1cccc(c1C)Cc1c[nH]cn1.Cl
• InChI: InChI=1S/C12H14N2.ClH/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12;/h3-5,7-8H,6H2,1-2H3,(H,13,14);1H
• InChIKey: OIWRDXKNDCJZSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2,3-dimethylphenyl)methyl]-1H-imidazole hydrochloride
• IUPAC Traditional name: 4-(2,3-dimethylbenzyl)imidazol hydrochloride
• Synonyms: 5-[(2,3-Dimethylphenyl)methyl]-1H-imidazole Hydrochloride; 4-[(2,3-Dimethylphenyl)methyl]-1H-imidazole Monohydrochloride; Domosedan; MPV 253AII; 4-((2,3-dimethylphenyl)methyl)-1h-imidazole monohydrochloride; Dormosedan; Detomidine hydrochloride; Detomidine HCl

Database IDs

• CAS Number: 90038-01-0
• PubChem SID: 162037676
• PubChem CID: 56031

CALCULATED PROPERTIES

• Acid pKa: 14.201839
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.031074
• LogD (pH = 7.4): 2.787372
• Log P: 2.8473287
• Molar Refractivity: 58.4086 cm^3
• Polarizability: 22.047924 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Off-White Solid
• Melting Point: 158-161°C

Safety Information

• Storage Condition: -20°C; Refrigerator

Pharmacology Properties

• Target: Adrenergic Receptor; adrenoreceptor

Product Information

• Purity: 97%
• Salt Data: HCl; hydrochloride

DETAILS

Selleck Chemicals - S1579

Research Area: Neurological Disease
Biological Activity:
Detomidine hydrochloride is a nonnarcotic, synthetic alpha-2 adrenoreceptor agonist.equine sedative/analgesic that contains the active ingredient detomidine hydrochloride. Detomidine is a sedative with analgesic properties. Alpha2-adrenergic agonists produce dose-dependent sedative and analgesic effects, mediatated by activation of alpha-2 catecholamine receptors, thus inducing a negative feedback response, reducing production of excitatory neurotransmitters. Due to inhibition of the sympathetic nervous system, detomidine also has cardiac and respiratory effects and an antidiuretic action. [1]

Toronto Research Chemicals - D297975

α-Adrenoceptor agonist with sedative and analgesic activity. Sedative.

REFERENCES

• http://en.wikipedia.org/wiki/Detomidine
• Laine, E., Acta Pharm. Suec., 20, 451 (1983)
• Virtanen, R., et al.: Eur. J. Pharmacol., 108, 163 (1983)