apraclonidine   

GtoPdb Ligand ID: 7117

Synonyms: AL-02145 | Iopidine®
apraclonidine is an approved drug (FDA (1987))
Compound class: Synthetic organic
Comment: Apraclonidine is a clonidine derivative which acts as sympathomimetic α2-adrenoceptor agonist.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 62.44
Molecular weight 244.03
XLogP 1.86
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1
Isomeric SMILES Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1
InChI InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)
InChI Key IEJXVRYNEISIKR-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1987))
IUPAC Name
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
International Nonproprietary Names
INN number INN
6263 apraclonidine
Synonyms
AL-02145 | Iopidine®
Database Links
CAS Registry No. 66711-21-5
ChEMBL Ligand CHEMBL647
DrugBank Ligand DB00964
DrugCentral Ligand 229
GtoPdb PubChem SID 178103694
PubChem CID 2216
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Wikipedia Apraclonidine