Bevonium methyl sulfate
Basic information
- CAS
5205-82-3- Standard SMILES
COS(=O)(=O)[O-].C[N+]1(C)CCCCC1COC(=O)C(O)(c1ccccc1)c1ccccc1- InChIKey
AXKJGGRSAVLXTE-UHFFFAOYSA-M- Molecular formula
- C23H31NO7S
- Average molar mass
- 465.6 g/mol
- Monoisotopic mass
- 465.1821235
Overview
Bevonium methyl sulfate is a member of piperidines, a glycolate ester and an azaheterocycle sulfate salt.
Names & identifiers
- Preferred name
- Bevonium methyl sulfate
- IUPAC
- (1,1-dimethylpiperidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate;methyl sulfate
- English name
- bevonium metilsulfate
- Molecular formula
- C23H31NO7S
- Molecular weight
- 465.55974
Names & synonyms
Bevonium methyl sulfateBEVONIUM METILSULFATE5205-82-3Bevonium methylsulfateBevonium methylsulphateMetilsulfato de bevonioMetilsulfate de bevoniumPiribenzil methyl sulfateBevonii metilsulfasBevonium metilsulphatePiribenzil methylsulfateDTXSID3046615
Show more names
BevoniumCG 201AcabelPiribenzil Methosulfate2-({[Hydroxy(diphenyl)acetyl]oxy}methyl)-N,N-dimethylpiperidinium methyl sulphate
CG-201UWC15E373ZDTXCID1026615CHEBI:31283bevonio metilsolfatoRefChem:917122A03AB13226-001-8
Database identifiers
- CAS
5205-82-3- PubChem CID
- 31799
- DTXSID
DTXSID3046615- ChEMBL
CHEMBL2106080- ChEBI
CHEBI:31283
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 537
Physicochemical properties
- Melting point
- 134 · 134-135°C
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- Off-White
- FDA UNII
- 15 E373Z · UWC15E373Z
- ATC code
- 3 AB13 · A03AB13
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Other Safety InformationIMAP assessments - Piperidinium, 2-[[(hydroxydiphenylacetyl)oxy]methyl]-1,1-dimethyl-, methyl sulfate (salt): Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Applications
UsesBevonium metilsulfate can be used as an anticholinergic, antispasmodic, and brochodilator.
Additional notes
DefinitionChEBI: Bevonium methyl sulfate is a glycolate ester, a member of piperidines and an azaheterocycle sulfate salt.
Suppliers
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Compound notes
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