NAV

Tymazoline

Identification

Generic Name
Tymazoline
DrugBank Accession Number
DB08803
Background

Tymazoline is a nasal preparation.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 232.3214
Monoisotopic: 232.157563272
Chemical Formula
C14H20N2O
Synonyms
  • Tymazoline
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Pharmacology

Indication

For the treatment of Inflammation of the lining of the nose and paranasal sinuses and allergic inflammation of nasopharyngeal.

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Tymazoline is a drug with antihistaminic and sympathomimetic properties. It locally reduces swelling, inflammation and mucosal secretions of the nasal passages.

Mechanism of action

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.

Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

A large overdose or accidental oral intake, especially in children, may cause excessive sedation with drowsiness, reduced body temperature, heart rate relief and fluctuations in blood pressure and collapse.

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
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OxymetazolineThe absorption of Tymazoline can be decreased when combined with Oxymetazoline.
Food Interactions
Not Available

Products

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International/Other Brands
Thymazen

Categories

ATC Codes
R01AA13 — Tymazoline
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Prenol lipids
Sub Class
Monoterpenoids
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
show 5 more
Substituents
2-imidazoline / Alkyl aryl ether / Amidine / Aromatic heteromonocyclic compound / Aromatic monoterpenoid / Azacycle / Benzenoid / Carboximidamide / Carboxylic acid amidine / Cumene
show 18 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
U993RH5585
CAS number
24243-97-8
InChI Key
QRORCRWSRPKEHR-UHFFFAOYSA-N
InChI
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)
IUPAC Name
2-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4,5-dihydro-1H-imidazole
SMILES
CC(C)C1=C(OCC2=NCCN2)C=C(C)C=C1

References

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. [Article]
  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. [Article]
Human Metabolome Database
HMDB0015693
KEGG Drug
D07373
PubChem Compound
34154
PubChem Substance
99445273
ChemSpider
31478
ChEBI
134947
ChEMBL
CHEMBL2106467
ZINC
ZINC000000002232
PharmGKB
PA165958422
Wikipedia
Tymazoline

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.118 mg/mLALOGPS
logP3.2ALOGPS
logP2.64Chemaxon
logS-3.3ALOGPS
pKa (Strongest Basic)9.26Chemaxon
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
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9947
Blood Brain Barrier-0.572
Caco-2 permeable-0.5359
P-glycoprotein substrateSubstrate0.7787
P-glycoprotein inhibitor INon-inhibitor0.8564
P-glycoprotein inhibitor IINon-inhibitor0.588
Renal organic cation transporterInhibitor0.6599
CYP450 2C9 substrateNon-substrate0.7725
CYP450 2D6 substrateNon-substrate0.5833
CYP450 3A4 substrateNon-substrate0.5478
CYP450 1A2 substrateInhibitor0.653
CYP450 2C9 inhibitorNon-inhibitor0.8779
CYP450 2D6 inhibitorInhibitor0.8674
CYP450 2C19 inhibitorNon-inhibitor0.8289
CYP450 3A4 inhibitorNon-inhibitor0.8562
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.6477
Ames testNon AMES toxic0.78
CarcinogenicityNon-carcinogens0.9076
BiodegradationNot ready biodegradable0.9959
Rat acute toxicity3.2336 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.5936
hERG inhibition (predictor II)Non-inhibitor0.6603
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-014i-3920000000-92ae3f5b46aa597e21f7
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-5490000000-ad58aa65ddab7e325d5f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000t-6890000000-56e27fcc995afd4de3ee
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-4900000000-b016ca4b298b9ba55f56
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-8930000000-6f44c4a4757dec4f1d7a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000x-9800000000-bebc2057f54c0990cddf
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0api-9200000000-10b0818a502643fd5ed4
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-166.9342087
predicted
DarkChem Lite v0.1.0
[M-H]-167.1546087
predicted
DarkChem Lite v0.1.0
[M-H]-155.82301
predicted
DeepCCS 1.0 (2019)
[M+H]+167.5172087
predicted
DarkChem Lite v0.1.0
[M+H]+168.1125087
predicted
DarkChem Lite v0.1.0
[M+H]+158.18102
predicted
DeepCCS 1.0 (2019)
[M+Na]+166.7866087
predicted
DarkChem Lite v0.1.0
[M+Na]+167.0660087
predicted
DarkChem Lite v0.1.0
[M+Na]+164.27415
predicted
DeepCCS 1.0 (2019)

Drug created at October 15, 2010 16:48 / Updated at June 12, 2020 16:52