Atipamezole hydrochlorideProduct ingredient for Atipamezole

Name
Atipamezole hydrochloride
Drug Entry
Atipamezole

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.

Accession Number
DBSALT001642
Structure
Synonyms
Atipamezole HCl
UNII
2W4279571X
CAS Number
104075-48-1
Weight
Average: 248.75
Monoisotopic: 248.1080263
Chemical Formula
C14H17ClN2
InChI Key
PCCVCJAQMHDWJY-UHFFFAOYSA-N
InChI
InChI=1S/C14H16N2.ClH/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);1H
IUPAC Name
5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole hydrochloride
SMILES
Cl.CCC1(CC2=C(C1)C=CC=C2)C1=CN=CN1
ChemSpider
13077441
ChEMBL
CHEMBL2361649
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
Polarizability24.31 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon