Dexmedetomidine hydrochlorideProduct ingredient for Dexmedetomidine

Show full entry for Dexmedetomidine
Name
Dexmedetomidine hydrochloride
Drug Entry
Dexmedetomidine

An agonist of receptors, adrenergic alpha-2 that is used in veterinary medicine for its analgesic and sedative properties. It is the racemate of dexmedetomidine.

See full entry for Dexmedetomidine
Accession Number
DBSALT001013
Structure
Similar Structures
Synonyms
Dexmedetomidine HCl
UNII
1018WH7F9I
CAS Number
145108-58-3
Weight
Average: 236.74
Monoisotopic: 236.1080263
Chemical Formula
C13H17ClN2
InChI Key
VPNGEIHDPSLNMU-MERQFXBCSA-N
InChI
InChI=1S/C13H16N2.ClH/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);1H/t11-;/m0./s1
IUPAC Name
4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride
SMILES
Cl.C[C@H](C1=CNC=N1)C1=C(C)C(C)=CC=C1
ChemSpider
5293298
ChEBI
31472
ChEMBL
CHEMBL2106195
Wikipedia
Dexmedetomidine
Predicted Properties
PropertyValueSource
Water Solubility0.174 mg/mLALOGPS
logP3.28ALOGPS
logP3.39Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)14.09Chemaxon
pKa (Strongest Basic)6.54Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area28.68 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity62.98 m3·mol-1Chemaxon
Polarizability23.32 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon