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Oxymetazoline hydrochloride

CAT: 0862-GP5903-1gSize: 1 gDry Ice: NoHazardous: Yes
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CAT#:0862-GP5903-1gSize:1 g
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CAS Number
2315-02-8
EC Number
219-015-0
UN Code
2811
MDL Number
MFCD00058147
HS Code
29332990
Purity
99.00%
Molecular Formula
C16H24N2O · HCl
Molecular Weight
296.84
Storage Conditions
+20°C
Hazardous Class
True

Chemical Information

Oxymetazoline Hydrochloride

Oxymetazoline hydrochloride is a hydrochloride salt resulting from the reaction of equimolar quantities of oxymetazoline and hydrogen chloride. A direct-acting sympathomimetic with marked alpha-adrenergic activity, it is a vasoconstrictor that is used to relieve nasal congestion. It has a role as a sympathomimetic agent, an alpha-adrenergic agonist, a vasoconstrictor agent and a nasal decongestant. It contains an oxymetazoline(1+).

CAS Number2315-02-8
PubChem CID66259
IUPAC Name6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol;hydrochloride
Molecular FormulaC16H25ClN2O
Molecular Weight296.83
Topological Polar Surface Area44.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity345
SMILES
CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C.Cl
InChI
InChI=1S/C16H24N2O.ClH/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);1H
InChIKey
BEEDODBODQVSIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxymetazoline Hydrochloride
CAS: 2315-02-8
CID: 66259
Formula: C16H25ClN2O
MW: 296.83
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight296.83
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass296.1655411
Monoisotopic Mass296.1655411
Topological Polar Surface Area44.6 Ų
Heavy Atom Count20
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 Count2
Compound Is CanonicalizedYes