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Xylometazoline HCl

CAT: 0607-B2066-1000Size: 1 gDry Ice: NoHazardous: No
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CAT#:0607-B2066-1000Size:1 g
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Description
α1 and α2 adrenergic receptor agonist
CAS Number
1218-35-5
Product Name Alternative
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
Purity
0.9991
Form
A solid
Solubility
≥14.04 mg/mL in DMSO; ≥50 mg/mL in H2O; ≥59.8 mg/mL in EtOH
Smiles
CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C.Cl
Molecular Formula
C16H24N2·HCl
Molecular Weight
280.84
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Xylometazoline Hydrochloride

See also: Xylometazoline (has active moiety).

CAS Number1218-35-5
PubChem CID5282386
IUPAC Name2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
Molecular FormulaC16H25ClN2
Molecular Weight280.83
Topological Polar Surface Area24.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity302
SMILES
CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C.Cl
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
InChIKey
YGWFCQYETHJKNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Xylometazoline Hydrochloride
CAS: 1218-35-5
CID: 5282386
Formula: C16H25ClN2
MW: 280.83
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.83
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass280.1706265
Monoisotopic Mass280.1706265
Topological Polar Surface Area24.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity302
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C11409-01Xylometazoline
292065-01Xylometazoline Hydrochloride
AR-X19840-01Xylometazoline-d4
C16933Xylometazoline HCl
HY-B0475-01Xylometazoline (hydrochloride)

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