Benzydamine

HCID 12555CAS 642-72-8

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

BENZYDAMINE642-72-8BenzidamineBenzindamineBencidaminaBenzydaminumBenzidaminaApo-Benzydamine1-Benzyl-3-(3-(dimethylamino)propoxy)-1H-indazole1-Benzyl-3-[3-(dimethylamino)propoxy]-1H-indazole4O21U048EF{3-[(1-benzyl-1H-indazol-3-yl)oxy]propyl}dimethylamine
Show more names
BenzyaMineAURORA KA-7514Benzydamine (>90%)Benzydamine USP/EP/BPBenzydamine, 10 mM in DMSOBenzydamine (base and/or unspecified salts)INDAZOLE,1-BENZYL-3-(3-(DIMETHYLAMINO)PROPOXY)-
1-Propanamine, N,N-dimethyl-3-((1-(phenylmethyl)-1H-indazol-3-yl)oxy)-DTXSID7047859CHEBI:945631-Propanamine, N,N-dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-(3-((1-benzyl-1H-indazol-3-yl)oxy)propyl)dimethylamineNovo BenzydaminePMS Benzydamineratio Benzydamine

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

Experimental & physicochemical properties

Drugs · 3 items

Pharmaceuticals

Pharmaceuticals -> Listed in ZINC15

Synthetic Cannabinoids

SolubilityMiscible
Human DrugsPharmaceuticals
Melting Point320°F
Dissociation Constants9.27
Collision Cross Section169.91 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

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)

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Other Safety InformationIMAP assessments - 1-Propanamine, N,N-dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)

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

Chemistry & industry

Pharmacology

ATC Code · 6 items

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

Protein BindingBenzydamine exhibits < 20% plasma protein binding after oral administration.
Pharmacodynamics · 1 item

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 · 1 item

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*.

Biological Half-LifeApproximately 13 h after oral administration, with a terminal half life of about 7.7 h.
Metabolism/Metabolites · 1 item

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

Uses & manufacturing

UsesUse (kg; approx.) in Germany (2009): >50
Use ClassificationPharmaceuticals
Applications · 3 items

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

北京华美互利生物化工010-56205725 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Additional notes · 1 item

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

1 records

Linked notes

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