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Tymazoline

July 24, 2017
Common Name

Tymazoline Description

Tymazoline is only found in individuals that have used or taken this drug. It is a nasal preparation.Thymazen causes vasoconstriction of the nasal mucosa, reducing congestion and thus the swelling of the mucosa. Also reduces the secretions from the nose. Thymazen acts on alpha-adrenergic receptors, which reduces local inflammation of the nasal mucosa especially if their cause is an allergy. Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Synonyms

Value Source ThymazenKegg PernazeneHMDB

Chemical Formlia

C14H20N2O Average Molecliar Weight

232.3214 Monoisotopic Molecliar Weight

232.157563272 IUPAC Name

2-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4,5-dihydro-1H-imidazole Traditional Name

tymazoline CAS Registry Number

24243-97-8 SMILES

CC(C)C1=C(OCC2=NCCN2)C=C(C)C=C1

InChI Identifier

InChI=1S/C14H20N2O/c1-10(2)12-5-4-11(3)8-13(12)17-9-14-15-6-7-16-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,16)

InChI Key

QRORCRWSRPKEHR-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Kingdom

Chemical entities Super Class

Organic compounds Class

Lipids and lipid-like moleclies Sub Class

Prenol lipids Direct Parent

Aromatic monoterpenoids Alternative Parents

  • Monocyclic monoterpenoids
  • Phenylpropanes
  • Cumenes
  • Phenoxy compounds
  • Phenol ethers
  • Toluenes
  • Alkyl aryl ethers
  • Imidolactams
  • Imidazolines
  • Propargyl-type 1,3-dipolar organic compounds
  • Carboximidamides
  • Carboxamidines
  • Azacyclic compounds
  • Organopnictogen compounds
  • Hydrocarbon derivatives

    • Substituents

  • P-cymene
  • Aromatic monoterpenoid
  • Monocyclic monoterpenoid
  • Cumene
  • Phenylpropane
  • Phenoxy compound
  • Phenol ether
  • Alkyl aryl ether
  • Toluene
  • Monocyclic benzene moiety
  • Imidolactam
  • Benzenoid
  • 2-imidazoline
  • Azacycle
  • Organoheterocyclic compound
  • Carboxylic acid amidine
  • Organic 1,3-dipolar compound
  • Ether
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Amidine
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organic nitrogen compound
  • Aromatic heteromonocyclic compound

    • Molecliar Framework

    Aromatic heteromonocyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Drug

    • Biofunction

  • Cell signaling
  • Fuel and energy storage
  • Fuel or energy source
  • Membrane integrity/stability
  • Sympathomimetics
  • Vasoconstrictor Agents

    • Application

  • Nutrients
  • Pharmaceutical
  • Stabilizers
  • Surfactants and Emlisifiers

    • Cellliar locations

  • Extracellliar
  • Membrane

    • Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogPNot AvailableNot Available

    Predicted Properties

    Property Value Source Water Solubility0.12 mg/mLALOGPS logP3.2ALOGPS logP2.64ChemAxon logS-3.3ALOGPS pKa (Strongest Basic)7.66ChemAxon Physiological Charge1ChemAxon Hydrogen Acceptor Count3ChemAxon Hydrogen Donor Count1ChemAxon Polar Surface Area33.62 Å2ChemAxon Rotatable Bond Count4ChemAxon Refractivity69.54 m3·mol-1ChemAxon Polarizability27.29 Å3ChemAxon Number of Rings2ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Spectrum Type Description Splash Key Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available

    Biological Properties Cellliar Locations

  • Extracellliar
  • Membrane

    • Biofluid Locations

  • Blood
  • Urine

    • Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations

    Biofluid Status Value Age Sex Condition Reference Details BloodExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB08803

  • 21059682

    • details UrineExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB08803

  • 21059682

    • details

    Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    DB08803 DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    Not Available KNApSAcK ID

    Not Available Chemspider ID

    31478 KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Tymazoline NuGOwiki Link

    HMDB15693 Metagene Link

    HMDB15693 METLIN ID

    Not Available PubChem Compound

    34154 PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Hexamethonium (Bromide)

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Levrier J, Molon-Noblot S, Duval D, Lloyd KG: A new ex vivo method for the study of nasal drops on ciliary function. Fundam Clin Pharmacol. 1989;3(5):471-82. [PubMed:2481638 ]
    2. Lorino AM, Lofaso F, Drogou I, Abi-Nader F, Dahan E, Coste A, Lorino H: Effects of different mechanical treatments on nasal resistance assessed by rhinometry. Chest. 1998 Jul;114(1):166-70. [PubMed:9674465 ]

    PMID: 17300166

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