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Atipamezole

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

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Identification

Generic Name
Atipamezole
DrugBank Accession Number
DB11481
Background

Atipamezole is a synthetic α2 adrenoceptor antagonistused to reverse the sedative and analgesic effects of dexmedetomidine and medetomidine in dogs. It has also been undergone research as a potential anti-Parkinsonian drug for humans.

Type
Small Molecule
Groups
Investigational, Vet approved
Structure
3D
Similar Structures
Weight
Average: 212.296
Monoisotopic: 212.131348523
Chemical Formula
C14H16N2
Synonyms
  • Atipamezole
External IDs
  • MPV-1248
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Pharmacology

Indication

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

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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
AcebutololAtipamezole may decrease the antihypertensive activities of Acebutolol.
AceclofenacThe risk or severity of hypertension can be increased when Aceclofenac is combined with Atipamezole.
AcemetacinThe risk or severity of hypertension can be increased when Atipamezole is combined with Acemetacin.
Acetylsalicylic acidThe risk or severity of hypertension can be increased when Acetylsalicylic acid is combined with Atipamezole.
AlbuterolThe risk or severity of hypertension can be increased when Salbutamol is combined with Atipamezole.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Atipamezole hydrochloride2W4279571X104075-48-1PCCVCJAQMHDWJY-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Aromatic heteropolycyclic compound / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative / Imidazole / Indane / Organic nitrogen compound / Organoheterocyclic compound / Organonitrogen compound
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
03N9U5JAF6
CAS number
104054-27-5
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

References

General References
Not Available
KEGG Drug
D03002
ChemSpider
64427
BindingDB
81807
RxNav
18475
ChEMBL
CHEMBL353972
ZINC
ZINC000005424171
Wikipedia
Atipamezole

Clinical Trials

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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
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1CompletedBasic ScienceHealthy Volunteers (HV)1somestatusstop reasonjust information to hide
1WithdrawnTreatmentEmergence From Anesthesia1somestatusstop reasonjust information to hide

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/MSsplash10-03di-0190000000-0f151bfdb4f3baa7f252
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0090000000-127c5c2efd09325e82d0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0290000000-127431b8cb2d17ffc4dd
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03xr-2960000000-1c1d20516f45947f0311
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-2900000000-f3a4ad0bb9774f13f39f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-1900000000-8a6c1d2829491fd16b70
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]-144.3531
predicted
DeepCCS 1.0 (2019)
[M+H]+146.7111
predicted
DeepCCS 1.0 (2019)
[M+Na]+152.87547
predicted
DeepCCS 1.0 (2019)

Drug created at February 25, 2016 19:48 / Updated at February 21, 2021 18:53