NAV

Medetomidine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Medetomidine
DrugBank Accession Number
DB11428
Background

Medetomidine is a synthetic compound used as a surgical anesthetic and analgesic. It is normally found as its hydrochloride salt, medetomidine hydrochloride. Medetomidine is an intravenously available alpha-2 adrenergic agonist. The drug has been developed by Orion Pharma. In the United States, it is currently approved for its veterinary use in dogs and distributed by Pfizer Animal Health. In Canada, medetomidine is distributed by Novartis Animal Health. The marketed product is a racemic mixture of two stereoisomers from which dexmedetomidine is the main active isomer.

Type
Small Molecule
Groups
Experimental, Vet approved
Structure
3D
Similar Structures
Weight
Average: 200.2795
Monoisotopic: 200.131348522
Chemical Formula
C13H16N2
Synonyms
  • (±)-4-(α,2,3-trimethylbenzyl)imidazole
  • Medetomidina
  • Medetomidine
  • Medetomidinum
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
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interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when Medetomidine is combined with 1,2-Benzodiazepine.
AcebutololThe therapeutic efficacy of Medetomidine can be decreased when used in combination with Acebutolol.
AceclofenacThe risk or severity of hypertension can be increased when Aceclofenac is combined with Medetomidine.
AcemetacinThe risk or severity of hypertension can be increased when Medetomidine is combined with Acemetacin.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Medetomidine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Medetomidine hydrochlorideBH210P244U86347-15-1VPNGEIHDPSLNMU-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Xylenes
Direct Parent
o-Xylenes
Alternative Parents
Imidazoles / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
Aromatic heteromonocyclic compound / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative / Imidazole / O-xylene / Organic nitrogen compound / Organoheterocyclic compound / Organonitrogen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
imidazoles (CHEBI:48552)
Affected organisms
Not Available

Chemical Identifiers

UNII
MR15E85MQM
CAS number
86347-14-0
InChI Key
CUHVIMMYOGQXCV-UHFFFAOYSA-N
InChI
InChI=1S/C13H16N2/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)
IUPAC Name
5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
SMILES
CC(C1=CN=CN1)C1=CC=CC(C)=C1C

References

General References
  1. Hellebrekers LJ: [Medetomidine]. Tijdschr Diergeneeskd. 1996 Nov 1;121(21):634. [Article]
  2. Mohammad FK, Zangana IK, Abdul-Latif AR: Medetomidine sedation in sheep. Zentralbl Veterinarmed A. 1993 Jun;40(5):328-31. [Article]
  3. Jones P, Hoare C: Medetomidine in horses. Vet Rec. 1991 Nov 23;129(21):476. [Article]
  4. Salonen JS: Pharmacokinetics of medetomidine. Acta Vet Scand Suppl. 1989;85:49-54. [Article]
  5. Crighton M: Diuresis following medetomidine. Vet Rec. 1990 Feb 24;126(8):201. [Article]
  6. Manners H: Anaesthesia following medetomidine. Vet Rec. 1990 Feb 17;126(7):174. [Article]
  7. Vaha-Vahe T: The clinical efficacy of medetomidine. Acta Vet Scand Suppl. 1989;85:151-3. [Article]
  8. Ko JC, Heaton-Jones TG, Nicklin CF: Evaluation of the sedative and cardiorespiratory effects of medetomidine, medetomidine-butorphanol, medetomidine-ketamine, and medetomidine-butorphanol-ketamine in ferrets. J Am Anim Hosp Assoc. 1997 Sep-Oct;33(5):438-48. [Article]
  9. Raekallio M, Tulamo RM, Valtamo T: Medetomidine-midazolam sedation in sheep. Acta Vet Scand. 1998;39(1):127-34. [Article]
  10. Verstegen J, Fargetton X, Ectors F: Medetomidine/ketamine anaesthesia in cats. Acta Vet Scand Suppl. 1989;85:117-23. [Article]
KEGG Drug
D08165
ChemSpider
61868
BindingDB
50036913
RxNav
52016
ChEBI
48552
ChEMBL
CHEMBL77921
PharmGKB
PA449256
Wikipedia
Medetomidine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.185 mg/mLALOGPS
logP2.96ALOGPS
logP3.1Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)13.13Chemaxon
pKa (Strongest Basic)7.07Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area28.68 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity63.34 m3·mol-1Chemaxon
Polarizability23.11 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-001r-3900000000-6ddf8df46b60cbbf97bc
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0390000000-830ebe4b019878fb680f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001j-0900000000-4b281b6c3a9d9d3b2a0e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-1900000000-fc901015a78caad6d8f0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f6t-9320000000-2d6e946efa256f0ab6e4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05o0-2900000000-89806c6093c4a5a71ac4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-067i-5900000000-2b70a2b73dacc1115b5b
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-142.17694
predicted
DeepCCS 1.0 (2019)
[M+H]+144.5725
predicted
DeepCCS 1.0 (2019)
[M+Na]+150.77481
predicted
DeepCCS 1.0 (2019)

Drug created at February 25, 2016 18:42 / Updated at February 21, 2021 18:53