atipamezole   Click here for help

GtoPdb Ligand ID: 12576

Synonyms: MPV-1248
Compound class: Synthetic organic
Comment: Atipamezole is an α2-adrenoceptor antagonist. It is used as a veterinary drug to reverse the sedative and analgesic effects of α2-adrenoceptor agonists (dexmedetomidine and medetomidine) in dogs.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 24.39
Molecular weight 212.29
XLogP 2.35
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCC1(CC2=C(C=CC=C2)C1)C3=CN=CN3
Isomeric SMILES CCC1(CC2=CC=CC=C2C1)C3=CN=CN3
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)
InChI Key HSWPZIDYAHLZDD-UHFFFAOYSA-N
References
1. Proudman RGW, Akinaga J, Baker JG. (2022)
The affinity and selectivity of α-adrenoceptor antagonists, antidepressants and antipsychotics for the human α2A, α2B, and α2C-adrenoceptors and comparison with human α1 and β-adrenoceptors.
Pharmacol Res Perspect, 10 (2): e00936. [PMID:35224877]