Dexmedetomidine Hydrochloride

Base Information

• Chemical Name: Dexmedetomidine Hydrochloride
• CAS No.: 145108-58-3
• Molecular Formula: C₁₃H₁₆N₂*ClH
• Molecular Weight: 236.744
• Hs Code.: 2933290000
• European Community (EC) Number: 682-047-2
• UNII: 1018WH7F9I
• DSSTox Substance ID: DTXSID40873215
• Wikidata: Q27114321
• NCI Thesaurus Code: C72738
• RXCUI: 228054
• ChEMBL ID: CHEMBL2106195
• Mol file: 145108-58-3.mol

Synonyms:Dexmedetomidine;Dexmedetomidine Hydrochloride;Hydrochloride, Dexmedetomidine;MPV 1440;MPV-1440;MPV1440;Precedex

Chemical Property of Dexmedetomidine Hydrochloride

Chemical Property:

• Appearance/Colour: White or almost white crystalline powder
• Vapor Pressure: 1.08E-05mmHg at 25°C
• Melting Point: 153 - 158oC
• Boiling Point: 381.9 ºC at 760 mmHg
• Flash Point: 191.3 ºC
• PSA: 28.68000
• Density: 1.17 g/cm3
• LogP: 3.98030
• Storage Temp.: Desiccate at RT
• Solubility.: H2O: soluble20mg/mL, clear
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 236.1080262
• Heavy Atom Count: 16
• Complexity: 205

Purity/Quality:

99%, ^*data from raw suppliers

Dexmedetomidine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C.Cl
• Isomeric SMILES: CC1=C(C(=CC=C1)[C@H](C)C2=CN=CN2)C.Cl
• Recent ClinicalTrials: Dexmedetomidine Versus Morphine and Midazolam in Prevention and Treatment of Delirium After Adult Cardiac Surgery
• Recent EU Clinical Trials: Prospective, randomized, double-blind, double-dummy, active-controlled, phase 3 clinical trial comparing the safety and efficacy of intranasal dexmedetomidine to oral midazolam as premedication for propofol sedation in pediatric patients undergoing magnetic resonance imaging
• Description: Dexmedetomidine was launched in the US as an i.v. infusion for sedation of initially intubated and mechanically ventilated patients during treatment in an intensive care unit, This imidazole derivative is the (S)-enantiomer of medetomidine that can be obtained via fractional crystallization of the tartrate salt of the racemic mixture. Dexmedetomidine is a full agonist of α2 adrenoceptors with 1300-fold selectivity versus α1 compared to the less selective partial α2 agonist clonidine, a veterinary hypnotic. Dexmedetomidine is unique compared with currently available sedatives in that it provides sedation, analgesia and anxiolysis with the ability of patients to be easily awakened. Besides, it causes minimal respiratory depression unlike other available drugs such as benzodiazepines or opioids. Pharmacological studies in transgenic mice showed that the sedative, anesthetic and analgesic effects of dexmedetomidine are specifically due to the stimulation of the a2A subtype receptor. Like other α2 adrenoceptor agonists, dexmedetomidine can provoke hypotension and bradycardia probably because of its non-selective action on peripheral a2B subtype receptors in vascular smooth muscle. Dexmedetomidine is extensively metabolized into methyl and glucuronide conjugates which are mainly eliminated by renal excretion. It was found to be a CYP2D6 inhibitor but less potent than the clinically relevant standard quinidine.
• Uses: Dexmedetomidine hydrochloride has been used to study its effects on primary neonatal rat cardiomyocytes under hypoxic/reoxygenation conditions. It has also been used to study the effects of dexmedetomidine pretreatment on lipopolysaccharide-induced acute lung injury in mice. highly selective, potent α2-adrenoceptor agonist, analgesic, anxiolytic, bradycardic, hypotensive, sedative, hypothermic

Technology Process of Dexmedetomidine Hydrochloride

There total 11 articles about Dexmedetomidine 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:

4-<1-(2,3-dimethylphenyl)-1-hydroxyethyl>-1-(triphenylmethyl)imidazole (176721-03-2) → (-)-(R)-4-(1-[2,3-dimethylphenyl]ethyl)-1H-imidazole hydrochloride (145108-58-3)

Guidance literature:

Multi-step reaction with 4 steps

1: triethylsilane; trifluoroacetic acid / dichloromethane / 5 h / -10 - 20 °C

2: hydrogen; palladium 10% on activated carbon

3: ethanol / 20 °C

4: sodium hydroxide / water / pH 8.5

With triethylsilane; palladium 10% on activated carbon; hydrogen; trifluoroacetic acid; sodium hydroxide; In ethanol; dichloromethane; water;

Reference yield:

tert-butyl 4-[1-(2,3-dimethylphenyl)-1-hydroxyethyl]-1H-imidazole-1-carboxylate → (-)-(R)-4-(1-[2,3-dimethylphenyl]ethyl)-1H-imidazole hydrochloride (145108-58-3)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogen; palladium 10% on activated carbon

2: ethanol / 20 °C

3: sodium hydroxide / water / pH 8.5

With palladium 10% on activated carbon; hydrogen; sodium hydroxide; In ethanol; water;

Reference yield:

tert-butyl 4-acetyl-1H-imidazole-1-carboxylate (850716-46-0) → (-)-(R)-4-(1-[2,3-dimethylphenyl]ethyl)-1H-imidazole hydrochloride (145108-58-3)

Guidance literature:

Multi-step reaction with 4 steps

1.1: magnesium / tetrahydrofuran / 1 h / Reflux

1.2: 2 h / 20 °C

2.1: hydrogen; palladium 10% on activated carbon

3.1: ethanol / 20 °C

4.1: sodium hydroxide / water / pH 8.5

With palladium 10% on activated carbon; hydrogen; magnesium; sodium hydroxide; In tetrahydrofuran; ethanol; water;

upstream raw materials:

1-N,N-Dimethylsulfamoyl-2-(tert-butyldimethylsilyl)-5-(2,3-dimethylbenzoyl)imidazole

1-(1-chloroethyl)-2,3-dimethylbenzene

4-<1-(2,3-dimethylphenyl)-1-hydroxyethyl>-1-(triphenylmethyl)imidazole

tert-butyl 4-acetyl-1H-imidazole-1-carboxylate

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