Benzonatate

Base Information

• Chemical Name: Benzonatate
• CAS No.: 104-31-4
• Molecular Formula: C30H53NO11
• Molecular Weight: 603.75
• European Community (EC) Number: 203-194-7
• NSC Number: 760128
• UNII: 5P4DHS6ENR
• DSSTox Substance ID: DTXSID9022655
• Nikkaji Number: J5.030J
• Wikipedia: Benzonatate
• Wikidata: Q2070778
• NCI Thesaurus Code: C28863
• RXCUI: 18993
• Metabolomics Workbench ID: 43144
• ChEMBL ID: CHEMBL1374379
• Mol file: 104-31-4.mol

Synonyms:Benzoicacid, p-(butylamino)-, 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylester (8CI);Benzoic acid, p-(butylamino)-, ester with2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-ol (6CI,7CI);Benzononantin;Benzononatine;Exangit;KM 65;Tesalon;Tessalin;Tessalon;Tessalon-Ciba;Ventussin;Ventussin-Loz;

Chemical Property of Benzonatate

Chemical Property:

• Appearance/Colour: pale yellow oily liquid
• Vapor Pressure: 9.98E-17mmHg at 25°C
• Refractive Index: 1.495
• Boiling Point: 649 °C at 760 mmHg
• PKA: 2.20±0.39(Predicted)
• Flash Point: 346.3 °C
• PSA: 121.40000
• Density: 1.096 g/cm³
• LogP: 2.90760
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 33
• Exact Mass: 603.36186151
• Heavy Atom Count: 42
• Complexity: 565

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benzonatate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC
• Recent ClinicalTrials: A Study on the Efficacy and Safety of Benzonatate Soft Capsules for Improving Adult Cough Symptoms
• Description: Benzonatate is a reversible voltage-gated sodium channel blocker. It blocks Nav1.7 currents in a concentration- and voltage-dependent manner (IC50s = 5.9 and 1.4 μM at holding potentials of -100 and -70 mV, respectively) and inhibits action potential firing in catecholamine A differentiated (CAD) cells. Benzonatate also blocks 80% of Nav1.3 currents in N1E-115 cells when used at a concentration of 100 μM. In vivo, benzonatate (0.85 mg/min) reduces the frequency, but has no effect on the amplitude, of the cough reflex in anesthetized dogs. Formulations containing benzonatate have been used as antitussive agents for the treatment of coughs.
• Uses: Antitussive
• Therapeutic Function: Antitussive
• Biological Functions: Benzonatate (TessaIon) is related to the local anesthetic tetracaine. It anesthetizes the stretch receptors in the lungs, thereby reducing coughing.Adverse reactions include hypersensitivity, sedation, dizziness, and nausea.