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Antazoline

July 24, 2017
Common Name

Antazoline Description

Antazoline is only found in individuals that have used or taken this drug. It is a 1st generation antihistamine that also anticholinergic properties used to relieve nasal congestion and in eye drops, usually in combination with naphazoline, to relieve the symptoms of allergic conjunctivitis.Antazoline binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine. Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Synonyms

Value Source 2-(N-Benzylanilinomethyl)-2-imidazolineChEBI 2-(N-Phenyl-N-benzylaminomethyl)imidazolineChEBI 4,5-dihydro-N-Phenyl-N-phenylmethyl-1H-imidazole-2-methanamineChEBI AntazolinaChEBI AntazolinumChEBI PhenazolinHMDB PhenazolineHMDB AntistineMeSH ArithminMeSH Lannett brand OF antazoline phosphateMeSH ImidamineMeSH AntastenMeSH Antazoline hydrochlorideMeSH Antazoline phosphateMeSH AnalergineMeSH Antazoline phosphate (1:1)MeSH Hydrochloride, antazolineMeSH Phosphate, antazolineMeSH

Chemical Formlia

C17H19N3 Average Molecliar Weight

265.3529 Monoisotopic Molecliar Weight

265.157897623 IUPAC Name

N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline Traditional Name

antazoline CAS Registry Number

91-75-8 SMILES

C(N(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NCCN1

InChI Identifier

InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)

InChI Key

REYFJDPCWQRWAA-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine. Kingdom

Chemical entities Super Class

Organic compounds Class

Benzenoids Sub Class

Benzene and substituted derivatives Direct Parent

Phenylbenzamines Alternative Parents

  • Dialkylarylamines
  • Benzylamines
  • Aniline and substituted anilines
  • Aralkylamines
  • Imidolactams
  • Imidazolines
  • Propargyl-type 1,3-dipolar organic compounds
  • Carboximidamides
  • Carboxamidines
  • Azacyclic compounds
  • Organopnictogen compounds
  • Hydrocarbon derivatives

    • Substituents

  • Phenylbenzamine
  • Benzylamine
  • Tertiary aliphatic/aromatic amine
  • Aniline or substituted anilines
  • Dialkylarylamine
  • Aralkylamine
  • Imidolactam
  • 2-imidazoline
  • Tertiary amine
  • Organoheterocyclic compound
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Amidine
  • Carboxylic acid amidine
  • Azacycle
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Amine
  • Aromatic heteromonocyclic compound

    • Molecliar Framework

    Aromatic heteromonocyclic compounds External Descriptors

  • tertiary amino compound (CHEBI:84115 )
  • aromatic amine (CHEBI:84115 )
  • imidazolines (CHEBI:84115 )

    • Ontology Status

    Expected but not Quantified Origin

  • Drug

    • Biofunction

  • Anti-Allergic Agents
  • Antihistamines
  • Histamine Antagonists

    • Application

  • Pharmaceutical

    • Cellliar locations

  • 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 Solubility0.11 mg/mLALOGPS logP3.22ALOGPS logP2.88ChemAxon logS-3.4ALOGPS pKa (Strongest Basic)9.24ChemAxon Physiological Charge1ChemAxon Hydrogen Acceptor Count3ChemAxon Hydrogen Donor Count1ChemAxon Polar Surface Area27.63 Å2ChemAxon Rotatable Bond Count5ChemAxon Refractivity82.89 m3·mol-1ChemAxon Polarizability30.11 Å3ChemAxon Number of Rings3ChemAxon 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

  • 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 DB08799

  • 21059682

    • details UrineExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB08799

  • 21059682

    • details

    Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    DB08799 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

    2115 KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Antazoline NuGOwiki Link

    HMDB15689 Metagene Link

    HMDB15689 METLIN ID

    Not Available PubChem Compound

    2200 PDB ID

    Not Available ChEBI ID

    358709

    Product: Mefenamic acid

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Figus M, Fogagnolo P, Lazzeri S, Capizzi F, Romagnoli M, Canovetti A, Iester M, Ferreras A, Rossetti L, Nardi M: Treatment of allergic conjunctivitis: results of a 1-month, single-masked randomized study. Eur J Ophthalmol. 2010 Sep-Oct;20(5):811-8. [PubMed:20383847 ]

    Enzymes

    General function:
    Involved in G-protein coupled receptor protein signaling pathway
    Specific function:
    In peripheral tissues, the H1 subclass of histamine receptors mediates the contraction of smooth muscles, increase in capillary permeability due to contraction of terminal venules, and catecholamine release from adrenal medulla, as well as mediating neurotransmission in the central nervous system
    Gene Name:
    HRH1
    Uniprot ID:
    P35367
    Molecular weight:
    55783.6
    References
    1. Swiader MJ, Luszczki JJ, Wielosz M, Czuczwar SJ: Effect of histamine receptor antagonists on aminophylline-induced seizures and lethality in mice. Pharmacol Rep. 2005 Jul-Aug;57(4):531-5. [PubMed:16129921 ]

    PMID: 14645137

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