Medetomidine hydrochloride cas 86347-15-1

Medetomidine is a synthetic compound used as a surgical anesthetic and analgesic. It is normally found as its hydrochloride salt, medetomidine hydrochloride. Medetomidine is an intravenously available alpha-2 adrenergic agonist. The drug has been developed by Orion Pharma. In the United States, it is currently approved for its veterinary use in dogs and distributed by Pfizer Animal Health. In Canada, medetomidine is distributed by Novartis Animal Health. The marketed product is a racemic mixture of two stereoisomers from which dexmedetomidine is the main active isomer.

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Description

Description of Medetomidine hydrochloride cas 86347-15-1

Accession Number
DBSALT002859
Structure
Synonyms
Medetomidine HCl / Medetomidine hydrochloride
External IDs
MPV 785 / MPV-785
UNII
BH210P244U
CAS Number
86347-15-1
Weight
Average: 236.74
Monoisotopic: 236.1080263
Chemical Formula
C13H17ClN2
InChI Key
VPNGEIHDPSLNMU-UHFFFAOYSA-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
IUPAC Name
5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride
SMILES
Cl.CC(C1=CN=CN1)C1=CC=CC(C)=C1C
ChemSpider
61867
BindingDB
50230390
ChEBI
48556
ChEMBL
CHEMBL537161
Predicted Properties
Property Value Source
Water Solubility 0.185 mg/mL ALOGPS
logP 2.96 ALOGPS
logP 3.1 Chemaxon
logS -3 ALOGPS
pKa (Strongest Acidic) 13.13 Chemaxon
pKa (Strongest Basic) 7.07 Chemaxon
Physiological Charge 1 Chemaxon
Hydrogen Acceptor Count 1 Chemaxon
Hydrogen Donor Count 1 Chemaxon
Polar Surface Area 28.68 Å2 Chemaxon
Rotatable Bond Count 2 Chemaxon
Refractivity 63.34 m3·mol-1 Chemaxon
Polarizability 23.11 Å3 Chemaxon
Number of Rings 2 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five Yes Chemaxon
Ghose Filter Yes Chemaxon
Veber’s Rule Yes Chemaxon
MDDR-like Rule No Chemaxon

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