lofexidine   Click here for help

GtoPdb Ligand ID: 9868

Synonyms: BritLofex® | Lucemyra®
Approved drug
lofexidine is an approved drug (UK (1990), FDA (2018))
Compound class: Synthetic organic
Comment: Lofexidine is a selective α2-adrenoceptor agonist [1]. The INN defines this drug as a racemic mixture of stereo isomers. We show the chemical structure without specified stereochemistry to represent the mixture. Oral lofexidine tablets contain the hydrochloride salt.
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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 3
Topological polar surface area 33.62
Molecular weight 258.03
XLogP 3.14
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(C1=NCCN1)Oc1c(Cl)cccc1Cl
Isomeric SMILES CC(C1=NCCN1)Oc1c(Cl)cccc1Cl
InChI InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)
InChI Key KSMAGQUYOIHWFS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (UK (1990), FDA (2018))
IUPAC Name Click here for help
2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
International Nonproprietary Names Click here for help
INN number INN
3766 lofexidine
Synonyms Click here for help
BritLofex® | Lucemyra®
Database Links Click here for help
BindingDB Ligand 50019646
CAS Registry No. 31036-80-3 (source: WHO INN record)
ChEMBL Ligand CHEMBL17860
DrugBank Ligand DB04948
DrugCentral Ligand 1593
GtoPdb PubChem SID 363894162
PubChem CID 30668
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