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OxyMetazoline

CAT: 0931-T64314-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T64314-01Size:25 mg
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CAS Number
1491-59-4
Target
Others
Related Pathways
Others
Bioactivity
OxyMetazoline is an α-adrenoceptor agonist that targets α1A (IC50: 0.02 μM), α1B (IC50: 0.25 μM), α2A (IC50: 0.58 μM), and α2C (IC50: 0.13 μM) receptors, and it can be used in studies to relieve nasal mucosal congestion.
Smiles
C(C1=C(C)C(O)=C(C(C)(C)C)C=C1C)C=2NCCN2
Molecular Formula
C16H24N2O
Molecular Weight
260.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Oxymetazoline

Oxymetazoline is a member of the class of phenols that is 2,4-dimethylphenol which is substituted at positions 3 and 6 by 4,5-dihydro-1H-imidazol-2-ylmethyl and tert-butyl groups, respectively. A direct-acting sympathomimetic with marked alpha-adrenergic activity, it is a vasoconstrictor that is used (generally as the hydrochloride salt) to relieve nasal congestion. It has a role as a sympathomimetic agent, an alpha-adrenergic agonist, a vasoconstrictor agent and a nasal decongestant. It is a member of phenols, a carboxamidine and a member of imidazolines. It is a conjugate base of an oxymetazoline(1+).

CAS Number1491-59-4
PubChem CID4636
IUPAC Name6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
Molecular FormulaC16H24N2O
Molecular Weight260.37
XLogP2.9
Topological Polar Surface Area44.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity345
SMILES
CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C
InChI
InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
InChIKey
WYWIFABBXFUGLM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxymetazoline
CAS: 1491-59-4
CID: 4636
Formula: C16H24N2O
MW: 260.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.37
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass260.188863393
Monoisotopic Mass260.188863393
Topological Polar Surface Area44.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity345
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19184405-01OxyMetazoline
B1342-100Oxymetazoline HCl
TRC-O876470-100MGOxymetazoline Hydrochloride
TRC-O876472-1MGOxymetazoline-d4
RM-O242510-01Oxymetazoline Impurity 10
RM-O242516-01Oxymetazoline Impurity 16

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