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 4.19
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
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
Comments
Marketed formulations contain xylometazoline hydrochloride (PubChem CID 5282386).
Database Links
BindingDB Ligand 50027068
CAS Registry No. 526-36-3 (source: Scifinder)
ChEBI CHEBI:10082
ChEMBL Ligand CHEMBL312448
DrugBank Ligand DB06694
GtoPdb PubChem SID 135651336
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