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Chemical structure of Xylometazoline

GC26085

Xylometazoline

Also known as 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole

Xylometazoline (Ba-11391, Otrivine, Rhinoxilin) is a nasal vasoconstricting decongestant drug which is used to improve symptoms of nasal congestion, allergic rhinitis, and sinusitis

ChemicalCAS526-36-3MW244.38FormulaC16H24N2
CAS number
526-36-3
Molecular weight
244.38
Formula
C16H24N2
Solubility
DMSO： 49 mg/mL (200·51 mM);Water： Insoluble;Ethanol： 49 mg/mL (200·51 mM)
InChIKey
HUCJFAOMUPXHDK-UHFFFAOYSA-N
Catalogue number
GC26085
Brand
GLPBIO
Computed properties PubChem CID 5709 · XLogP 3.2 · TPSA 24.4 Ų · H-bond donors 1
XLogP
3.2
TPSA
24.4 Ų
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
18

SMILES CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C

Computed descriptors from PubChem (CID 5709), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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