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Tetrahydrozoline (nitrate)

CAT: 0804-HY-B0556BSize: 1 EachDry Ice: NoHazardous: No
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Description
Tetrahydrozoline (Tetryzoline) nitrate , a derivative of imidazoline, is an α-adrenergic agonist that causes vasoconstriction. Tetrahydrozoline is widely used for the research of nasal congestion and conjunctival congestion[1][2].
CAS Number
118201-38-0
Product Name Alternative
Tetryzoline (nitrate)
UNSPSC
12352005
Target
Adrenergic Receptor
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Cardiovascular Disease
Solubility
10 mM in DMSO
Smiles
[O-][N+]([O-])=O.C1(C2CCCC3=C2C=CC=C3)=NCCN1
Molecular Formula
C13H16N3O3-
Molecular Weight
262.28
References & Citations
[1]E Kisilevsky, et al. Anterior and posterior segment vasculopathy associated with long-term use of tetrahydrozoline. CMAJ. 2018 Oct 9;190 (40) :E1208.|[2]Judy Peat, et al.Determination of tetrahydrozoline in urine and blood using gas chromatography-mass spectrometry (GC-MS) . Methods Mol Biol. 2010;603:501-8. |[3]Danuta Nowakowska, et al. In vitro effects of vasoconstrictive retraction agents on primary human gingival fibroblasts. Exp Ther Med. 2020 Mar; 19 (3) : 2037-2044.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Tetrahydrozoline Nitrate

Tetrahydrozoline nitrate is an organic nitrate salt obtained by reaction of equimolar amounts of tetryzoline and nitric acid. It is used as a drug for the temporary relief of discomfort and redness of eyes due to minor eye irritations. It has a role as a sympathomimetic agent, a vasoconstrictor agent and an ophthalmology drug. It contains a tetryzoline(1+).

CAS Number118201-38-0
PubChem CID5282385
IUPAC Namenitric acid;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
Molecular FormulaC13H17N3O3
Molecular Weight263.29
Topological Polar Surface Area90.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity284
SMILES
C1CC(C2=CC=CC=C2C1)C3=NCCN3.[N+](=O)(O)[O-]
InChI
InChI=1S/C13H16N2.HNO3/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;2-1(3)4/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);(H,2,3,4)
InChIKey
SVQFLMKSDLCPAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetrahydrozoline Nitrate
CAS: 118201-38-0
CID: 5282385
Formula: C13H17N3O3
MW: 263.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.29
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass263.12699141
Monoisotopic Mass263.12699141
Topological Polar Surface Area90.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity284
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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