NAV

Detomidine

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

Identification

Generic Name
Detomidine
DrugBank Accession Number
DB11556
Background

Detomidine is an α2-adrenergic agonist that is used as a horse sedative. Normally, it is administered in the salt form, detomidine hydrochloride. This drug is prescribed by veterinarians and is marketed as Dormosedan. Currently, it is only approved by the FDA for use in horses but has been studied for use in other large animals.

Type
Small Molecule
Groups
Vet approved
Structure
3D
Similar Structures
Weight
Average: 186.253
Monoisotopic: 186.115698458
Chemical Formula
C12H14N2
Synonyms
  • 4-(2,3-dimethylbenzyl)imidazole
  • Detomidine
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Pharmacology

Indication

Used as a large animal sedative, primarily in horses.

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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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 Detomidine is combined with 1,2-Benzodiazepine.
AcebutololThe therapeutic efficacy of Detomidine can be decreased when used in combination with Acebutolol.
AceclofenacThe risk or severity of hypertension can be increased when Aceclofenac is combined with Detomidine.
AcemetacinThe risk or severity of hypertension can be increased when Detomidine is combined with Acemetacin.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Detomidine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Detomidine hydrochloride95K4LKB6QE90038-01-0OIWRDXKNDCJZSM-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
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
7N8K34P2XH
CAS number
76631-46-4
InChI Key
RHDJRPPFURBGLQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N2/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)
IUPAC Name
5-[(2,3-dimethylphenyl)methyl]-1H-imidazole
SMILES
CC1=C(C)C(CC2=CN=CN2)=CC=C1

References

General References
Not Available
Human Metabolome Database
HMDB0041872
KEGG Drug
D07795
ChemSpider
50586
RxNav
22672
ChEMBL
CHEMBL2110829
ZINC
ZINC000005116305
Wikipedia
Detomidine

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.655 mg/mLALOGPS
logP2.52ALOGPS
logP2.74Chemaxon
logS-2.4ALOGPS
pKa (Strongest Acidic)13.26Chemaxon
pKa (Strongest Basic)7.15Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area28.68 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity58.86 m3·mol-1Chemaxon
Polarizability21.17 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-MSsplash10-0670-2900000000-8ba524c959b883c9ecda
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0900000000-731d9249ee1fd76893d4
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0900000000-8ac702ef55c30aeb283f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-4900000000-874158cd1c22e788d973
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014r-9800000000-217eb9b2ed7af0c0be84
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-9300000000-683502df32e7e93e9cd7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00o3-6900000000-5ad15eac43ea8ff24a86
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]-148.7851661
predicted
DarkChem Lite v0.1.0
[M-H]-148.7758661
predicted
DarkChem Lite v0.1.0
[M-H]-140.21025
predicted
DeepCCS 1.0 (2019)
[M+H]+149.8722661
predicted
DarkChem Lite v0.1.0
[M+H]+149.7097661
predicted
DarkChem Lite v0.1.0
[M+H]+142.60582
predicted
DeepCCS 1.0 (2019)
[M+Na]+148.8710661
predicted
DarkChem Lite v0.1.0
[M+Na]+149.6885661
predicted
DarkChem Lite v0.1.0
[M+Na]+149.99059
predicted
DeepCCS 1.0 (2019)

Drug created at February 26, 2016 18:38 / Updated at February 21, 2021 18:53