Xylometazoline hydrochlorideProduct ingredient for Xylometazoline

Name
Xylometazoline hydrochloride
Drug Entry
Xylometazoline

Xylometazoline is an imidazoline derivative 4 with sympathomimetic and nasal decongestant activity. Xylometazoline works by binding to alpha (α)-adrenergic receptors to cause vasoconstriction of nasal blood vessels.2

Xylometazoline is available in over-the-counter (OTC) nasal sprays or drops to temporarily relieve nasal congestion due to cold, hay fever or other respiratory allergies. In some countries, it is available as combination products with ipratropium, domiphen, or dexpanthenol.

Accession Number
DBSALT001557
Structure
Synonyms
Xylometazoline HCl
UNII
X5S84033NZ
CAS Number
1218-35-5
Weight
Average: 280.84
Monoisotopic: 280.1706265
Chemical Formula
C16H25ClN2
InChI Key
YGWFCQYETHJKNX-UHFFFAOYSA-N
InChI
InChI=1S/C16H24N2.ClH/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15;/h8-9H,6-7,10H2,1-5H3,(H,17,18);1H
IUPAC Name
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole hydrochloride
SMILES
Cl.CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C
ChemSpider
13968
ChEMBL
CHEMBL1256400
Predicted Properties
PropertyValueSource
Water Solubility0.00893 mg/mLALOGPS
logP4.68ALOGPS
logP3.78Chemaxon
logS-4.4ALOGPS
pKa (Strongest Basic)10.29Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area24.39 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity77.82 m3·mol-1Chemaxon
Polarizability29.85 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon