Basic information
- Standard SMILES
CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl- InChIKey
HNNIWKQLJSNAEQ-UHFFFAOYSA-N- Molecular formula
- C19H24ClN3O
- Average molar mass
- 345.9 g/mol
- Monoisotopic mass
- 345.16079007
Overview
Benzydamine hydrochloride is a member of indazoles.
Names & identifiers
- Preferred name
- Benzydamine Hydrochloride
- IUPAC
- 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride
- English name
- Benzydamine hydrochloride
- Molecular formula
- C19H23N3O.ClH
- Molecular weight
- 345.87
Names & synonyms
Benzydamine hydrochloride132-69-4Benzydamine HClBenzidamine hydrochlorideTantumBenalginDorinaminBenzyrinEpirotinSalyzoronDifflamEnzamin
Show more names
af864Afloben
ImotrylIndolinRirilimRiripenTamasVeraxAF 864DTXSID1045293
Database identifiers
- CAS
132-69-4- PubChem CID
- 65464
- DTXSID
DTXSID1045293- ChEMBL
CHEMBL1528134- ChEBI
CHEBI:31266- UNII
- K2GI407R4Q
- EC Number
- 205-076-0
Properties
Computed structural properties
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 344
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Pharmaceuticals
Solubility22.5 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section170.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 147 · 147-153°C
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- Soluble in water, ethanol, chloroform, n-butanol or DMSO /n
- Merck
- 14 · 14,1122
- Major Application
- forensics and toxicologypharmaceutical (small molecule)veterinary
- InChI
- 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
- C12C=CC=CC=1C(=NN2CC1C=CC=CC=1)OCCCN(C)C.Cl
- CAS DataBase Reference
- 132 · 132-69-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 GI407R4Q · K2GI407R4Q
- NCI Drug Dictionary
- benzydamine hydrochloride
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 7875000 · NK7875000
- HS Code
- 2933.99 · 2933.99.8290
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2
- Toxicity
- 50 in · LD50 in mice, rats (mg/kg): 110, 100 i.p.; 515, 1050 orally (Silvestrini)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 105 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Other Safety InformationIMAP assessments - 1-Propanamine, N,N-dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-, monohydrochloride: Environment tier I assessment
Hazards SummaryAllergic and photoallergic contact dermatitis reported; [Kanerva, p. 1757]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Adverse EffectsDermatotoxin - PACD (photoallergic contact dermatitis).
Safety data
- wgk
- 3
- rtecs
- NK7875000
- hs_code
- 2933.99.8290
- Toxicity
- LD50 in mice, rats (mg/kg): 110, 100 i.p.; 515, 1050 orally (Silvestrini)
- risk_code
- 20/21/22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that reduce or suppress INFLAMMATION.
Uses & manufacturing
UsesUsed as a topical, non-steroidal anti-inflammatory drug (NSAID); [Kanerva, p. 1757]
Applications
DescriptionBenzydamine hydrochloride is a non-steroidal antiinflammatory drug used both topically and systemically. It has been reported as a sensitizer and a photosensitizer and caused occupational contact dermatitis in a nurse.
UsesA nonsteroidal anti-inflammatory drug with local anaesthetic, analgesic and antipyretic properties.
Usesanticholinergic
UsesA nonsteroidal anti-inflammatory with local anesthetic properties.
UsesBenzydamine hydrochloride is an anti-in-flammatory drug used extensively in Europe and recently introduced in Canada to help re duce painful mucositis. Benzydamine provides short-term topical anesthesia and extended pain relief apparently through its anti-inflammatory properties. Studies have shown it to be effective in a range of painful conditions, including aphthous ulceration, chemotherapy-induced mucositis, and radiation-induced mucositis.
Upstream & downstream products
Upstream raw materials
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北京华美互利生物化工010-56205725 · [email protected]
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Additional notes
DefinitionChEBI: Benzydamine hydrochloride is a member of indazoles.
Related reactions
2 records
Linked notes
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