xylometazoline

Ligand id: 517

Name: xylometazoline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 24.39
Molecular weight 244.19
XLogP 5.78
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
International Nonproprietary Names
INN number INN
809 xylometazoline
Synonyms
Otrivine® | xylomethazoline
Database Links
BindingDB Ligand 50027068
CAS Registry No. 526-36-3 (source: Scifinder)
ChEBI CHEBI:10082
ChEMBL Ligand CHEMBL312448
DrugBank Ligand DB06694
PubChem CID 5709
Search Google for chemical match using the InChIKey HUCJFAOMUPXHDK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HUCJFAOMUPXHDK
Search PubMed clinical trials xylometazoline
Search PubMed titles xylometazoline
Search PubMed titles/abstracts xylometazoline
Search UniChem for chemical match using the InChIKey HUCJFAOMUPXHDK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HUCJFAOMUPXHDK
Wikipedia Xylometazoline
Comments
Marketed formulations contain xylometazoline hydrochloride (PubChem CID 5282386).