Atipamezole

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

Identification

Name
Atipamezole
Accession Number
DB11481
Type
Small Molecule
Groups
Investigational, Vet approved
Description

Atipamezole is a synthetic α2 adrenergic receptor antagonist, indicated for the reversal of the sedative and analgesic effects of dexmedetomidine and medetomidine in dogs. It has also been researched in humans as a potential anti-Parkinsonian drug.

Structure
Thumb
Synonyms
Not Available
External IDs
MPV-1248
Product Ingredients
IngredientUNIICASInChI Key
Atipamezole hydrochloride2W4279571X104075-48-1PCCVCJAQMHDWJY-UHFFFAOYSA-N
Categories
UNII
03N9U5JAF6
CAS number
104054-27-5
Weight
Average: 212.296
Monoisotopic: 212.131348523
Chemical Formula
C14H16N2
InChI Key
HSWPZIDYAHLZDD-UHFFFAOYSA-N
InChI
InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
IUPAC Name
5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole
SMILES
CCC1(CC2=CC=CC=C2C1)C1=CN=CN1

Pharmacology

Indication

For the reversal of the sedative and analgesic effects of dexmedetomidine and medetomidine in dogs.

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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Drug
D03002
ChemSpider
64427
BindingDB
81807
ChEMBL
CHEMBL353972
Wikipedia
Atipamezole

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers1

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 Solubility0.0706 mg/mLALOGPS
logP3.32ALOGPS
logP2.95ChemAxon
logS-3.5ALOGPS
pKa (Strongest Acidic)13.33ChemAxon
pKa (Strongest Basic)7.2ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area28.68 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity65.49 m3·mol-1ChemAxon
Polarizability24.32 Å3ChemAxon
Number of Rings3ChemAxon
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Indanes
Sub Class
Not Available
Direct Parent
Indanes
Alternative Parents
Imidazoles / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
Indane / Heteroaromatic compound / Imidazole / Azole / Azacycle / Organoheterocyclic compound / Organic nitrogen compound / Organopnictogen compound / Hydrocarbon derivative / Organonitrogen compound
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on February 25, 2016 12:48 / Updated on November 02, 2018 08:54