Basic information
- CAS
86347-15-1- Standard SMILES
Cc1cccc(C(C)c2cnc[nH]2)c1C.Cl- InChIKey
VPNGEIHDPSLNMU-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2
- Average molar mass
- 236.74 g/mol
- Monoisotopic mass
- 236.1080262
Overview
Medetomidine hydrochloride is a hydrochloride.
Names & identifiers
- Preferred name
- Medetomidine Hydrochloride
- IUPAC
- 5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride
- English name
- Medetomidine hydrochloride
- Molecular formula
- C13H17ClN2
- Molecular weight
- 236.74
Names & synonyms
Medetomidine hydrochloride86347-15-1Medetomidine HClMPV785MPV 785DTXSID3045691MPV-785BH210P244UDTXCID1025691CHEBI:48556PlacadineRefChem:56413
Show more names
(r)-4-[1-(2,3-dimethylphenyl)ethyl]-1h-imidazole hydrochlorideedetomidine(R)-4-[1-(2medeomidine hclMedetomidine HCMetetomidine HClMedetomidine HCIMedetomidine HCl PowderEthyl Acetate Impurity 85
Hydrochloride, Medetomidine1H-Imidazole, 5-(1-(2,3-dimethylphenyl)ethyl)-, hydrochloride (1:1)106807-72-1Medetomidine (hydrochloride)4-(1-(2,3-Dimethylphenyl)ethyl)-1H-imidazole hydrochlorideMedetomidine hydrochloride [USAN]5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride
Database identifiers
- CAS
86347-15-1- PubChem CID
- 68601
- DTXSID
DTXSID3045691
Properties
Computed structural properties
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
Animal Drugs
FDA approved animal drugs -> Active ingredient
Pharmaceuticals -> UK Veterinary Medicines Directorate List
Physicochemical properties
- Melting point
- 164 · 164-166°C
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Acetonitrile (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Off-White
- biological source
- synthetic
- InChI
- InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H
- InChIKey
- VPNGEIHDPSLNMU-UHFFFAOYSA-N
- SMILES
- C(C1N=CNC=1)(C1C=CC=C(C)C=1C)C.Cl
- FDA UNII
- 210 P244U · BH210P244U
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 12.5% (1 of 8) of reports.
Danger
H300+H330 (25%): Fatal if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]
P203, P260, P261, P262, P263, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P308+P316, P316, P318, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationMedetomidine hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 2 (62.5%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- target organs
- Central nervous system, Eyes
- Hazard statements
- H317-H319
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1STOT RE 1STOT SE 1STOT SE 3
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
A subclass of analgesic agents that typically do not bind to OPIOID RECEPTORS and are not addictive. Many non-narcotic analgesics are offered as NONPRESCRIPTION DRUGS.
Compounds that bind to and activate ADRENERGIC ALPHA-2 RECEPTORS.
Applications
DescriptionMedetomidine hydrochloride is a potent, highly selective α2-adrenoceptor agonist (Ki values are 1.08 and 1750 nM for α2- and α1-adrenoceptors respectively). It is an imidazole compound. Medetomidine hydrochloride shows greater selectivity over α1-adrenoceptors than clonidine and UK 14,304 (1620-, 220- and 300-fold respectively). In addition, it influences the adrenergic system by mimicking the action of adrenergic neurotransmitters.
UsesMedetomidine is a selective α2-adrenoceptor agonist, with Ki of 1.08 nM, exhibts 1620-fold selectivity over α1-adrenoceptor
UsesAn α2-Adrenergic agonist. Sedative; analgesic.
Upstream & downstream products
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
Related reactions
1 records
Compound notes
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