Molecular Identity
Xylometazoline
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID: 5709
Xylometazoline is an alkylbenzene.
2D Structure
Properties
C16H24N2
Molecular Formula
244.37
Molecular Weight
g/mol
244.1939
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
24.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
302
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)CIsomeric SMILES
SMILES: CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)CSynonyms(20)
xylometazoline526-36-3XylomethazolineOtriven2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazoleXilometazolinaXylometazolinumBalminilWPY40FTH8K2-(4-tert-Butyl-2,6-dimethylbenzyl)-2-imidazoline1H-Imidazole, 2-((4-(1,1-dimethylethyl)-2,6-dimethylphenyl)methyl)-4,5-dihydro-DTXSID80469571H-Imidazole, 2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-stasNasan
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Xylometazoline
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