Basic information
- Standard SMILES
CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12- InChIKey
CNBGNNVCVSKAQZ-UHFFFAOYSA-N- Molecular formula
- C19H23N3O
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.18411236
Overview
Benzydamine is a member of the class of indazoles carrying benzyl and 3-(dimethylamino)propyl groups at positions 1 and 3 respectively. A locally-acting nonsteroidal anti-inflammatory drug that also exhibits local anaesthetic and analgesic properties. It has a role as a central nervous system stimulant, a non-steroidal anti-inflammatory drug, an analgesic, a hallucinogen and a local anaesthetic. It is an aromatic ether, a member of indazoles and a tertiary amino compound. It is a conjugate base of a benzydamine(1+).
Names & identifiers
- Preferred name
- Benzydamine
- IUPAC
- 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine
- English name
- Benzydamine
- Molecular formula
- C19H23N3O
- Molecular weight
- 309.41
Names & synonyms
Show more names
Database identifiers
- CAS
642-72-8- PubChem CID
- 12555
- DTXSID
DTXSID7047859- ChEMBL
CHEMBL12610- ChEBI
CHEBI:94563- UNII
- 4O21U048EF
- EC Number
- 211-388-8
- Nikkaji
- J7.060B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 344
Experimental & physicochemical properties
Drugs
Pharmaceuticals
Pharmaceuticals -> Listed in ZINC15
Synthetic Cannabinoids
Physicochemical properties
- Melting point
- 167 · 167-170 °C
- Boiling point
- 0.05 · bp0.05 160°
- Density
- 1.1106 · 1.1106 (rough estimate)
- refractive index
- 1.59 · 1.5900 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Oil
- pka
- 9.25 · 9.25±0.28(Predicted)
- color
- Orange
- InChI
- 1S/C19H23N3O.ClH/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H
- InChIKey
- HNNIWKQLJSNAEQ-UHFFFAOYSA-N
- SMILES
- [Cl-].[N+H](CCCOc1n[n](c3c1cccc3)Cc2ccccc2)(C)C
- CAS DataBase Reference
- 642 · 642-72-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NCI Dictionary of Cancer Terms
- benzydamine
- FDA UNII
- 4 O21U048EF · 4O21U048EF
- NIST Chemistry Reference
- 1 · 1-Propanamine, n,n-dimethyl-3-[[1-(phenylmethyl)-1h-indazol-3-yl]oxy]-(642-72-8)
- ATC code
- 1 AD02,G02CC03,M01AX07,M02AA05,R02AX03 · A01AD02,G02CC03,M01AX07,M02AA05,R02AX03
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 9500 mg/kg ARZNAD 22,711,72
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Safety data
- wgk
- WGK 3
- Toxicity
- LD50 orl-rat: 9500 mg/kg ARZNAD 22,711,72
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Pharmacology
ATC Code
M - Musculo-skeletal system
A - Alimentary tract and metabolism
R - Respiratory system
G - Genito urinary system and sex hormones
M - Musculo-skeletal system
QA - Alimentary tract and metabolism
Pharmacodynamics
Benzydamine is a non-steroidal anti-inflammatory drug (NSAID) designed to elicit local anesthetic and analgesic effects mainly for the mouth and throat. It specifically acts on the local mechanisms of inflammation such as pain, oedema, or granuloma. Typically applied topically, the drug demonstrates anti-inflammatory activity reducing oedema as well as exudate and granuloma formation. Moreover, benzydamine exhibits analgesic properties and local anaesthetic activity if pain is caused by an inflammatory condition. Benzydamine can be absorbed into the oral mucosa and intact skin. Once absorbed in the local area of pain or inflammation, benzydamine binds selectively to local inflamed tissues, usually allowing it to act with few adverse systemic effects. On average a period of 2 to 4 hours is necessary for the substance to reach peak plasma concentration. Benzydamine can be synthesized with the reaction of the N-benzyl derivative from methyl anthranilate with nitrous acid to give N-nitoso derivative. This is next reduced by sodium thiosulfate to give transient hydrazine. This hydrazine can then undergo spontaneous internal hydrazide formation. Treating this resultant enolate with 3-chloro-1-dimethylamkino propane ultimately yields benzydamine.
Mechanism of Action
Despite being categorized as a non-steroidal anti-inflammatory drug (NSAID), benzydamine demonstrates various mechanisms of action that differ from those of traditional aspirin-like NSAIDs. In particular, benzydamine predominantly acts by inhibiting the synthesis of pro inflammatory cytokines like tumour necrosis factor-alpha (TNF-α) and interleukin-1β (IL-1β) without largely affecting other pro inflammatory cytokines (ie. such as IL-6 and IL-8) or anti-inflammatory cytokines (ie. like IL-10 or IL-1 receptor antagonist). Moreover, benzydamine is largely a weak inhibitor of prostaglandin synthesis as it has been shown to effectively inhibit cyclooxygenase (COX) and lipoxygenase enzyme activity only at concentrations of 1mM or greater. Considering most contemporary usages of benzydamine are topical applications that are generally not well absorbed through the skin and/or non-specialized mucosae, benzydamine does not often achieve the kind of absorption or blood concentrations necessary to cause any extraneous distant systemic effects or COX inhibition, allowing it to localize its action. Additionally, it is also hypothesized that benzydamine is capable of inhibiting the oxidative burst of neutrophils and membrane stabilization. These actions are exhibited by the substance’s ability to inhibit the release of granules from neutrophils and to stabilize lysosomes. Furthermore, benzydamine is capable of a local anaesthetic effect that may be related to its capability for inhibiting the release of inflammatory mediators like substance P and calcitonin gene related peptide from sensory nerve endings. Since substance P is capable of causing the release of histamine from mast cells, benzydamine’s prevention of substance P release further contributes to an anti-inflammatory effect. Benzydamine also demonstrates a non-specific antibacterial activity against various bacterial strains that are resistant to broad-spectrum antibiotics such as ampicillin, chloramphenicol, and tetracycline at concentrations of about 3 mmol/L. Combinatorial use of benzydamine and other antibiotics like tetracycline and chloramphenicol are also synergistic against antibiotic resistant strains of *Staphylococcus aureus* and *Pseudomonas aeruginosa*.
Metabolism/Metabolites
Benzydamine is primarily metabolized by oxidation, dealkylation, and conjugation into hydroxy, dealkylated, and N-oxide metabolites. In general, however, when used at the recommended doses the levels at which benzydamine is absorbed or exposed into the body are usually not sufficient to produce systemic pharmacological effects [L
Absorption, Distribution and Excretion
Oral doses of benzydamine are well absorbed and plasma drug concentrations reach a peak fairly rapidly and then decline with a half-life of approximately 13 hours. When applied topically, although the local drug concentrations are relatively large, the systemic absorption of topically applied benzydamine is relatively low compared to oral doses. This low topical absorption contributes to a decreased potential for any systemic drug side-effects when benzydamine is administered in this way.
The relatively high lipid solubility of the weak base benzydamine is thought to be associated with considerable passive resorption within the renal tubule, which suggests that only approximately 5% of benzydamine is excreted unchanged in the urine. At the same time however, other studies have suggested that considerably larger amounts (50-65%) of the drug is excreted unchanged in urine. While several inactive oxidized metabolites of benzydamine are excreted in urine, the benzydamine N-oxide metabolite can remain in plasma and demonstrate a half-life that is longer than the parent benzydamine compound. Nevertheless, it is generally believed that excretion occurs mainly through urine and is mostly in the form of inactive metabolites or conjugation products.
The volume of distribution of benzydamine is 10 L.
Benzydamine demonstrateas a systemic clearance of 170 ml/min.
Uses & manufacturing
Applications
DescriptionBenzydamine is an analytical reference standard categorized as an analgesic. Benzydamine has been abused and is associated with hallucinations, muscle weakness, and excitability. This product is intended for research and forensic applications.
UsesBenzydamine is a nonsteroidal anti-inflammatory drug with local anaesthetic, analgesic and antipyretic properties.
UsesAnalgesic; antipyretic; anti-inflammatory.
Upstream & downstream products
Downstream products
Suppliers39 total
Additional notes
DefinitionChEBI: Benzydamine is a member of the class of indazoles carrying benzyl and 3-(dimethylamino)propyl groups at positions 1 and 3 respectively. A locally-acting nonsteroidal anti-inflammatory drug that also exhibits local anaesthetic and analgesic properties. It has a role as a central nervous system stimulant, a non-steroidal anti-inflammatory drug, a hallucinogen, a local anaesthetic and an analgesic. It is a member of indazoles, an aromatic ether and a tertiary amino compound. It is a conjugate base of a benzydamine(1+).
Related reactions
Linked notes
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