Tolperisone
Basic information
- CAS
728-88-1- Standard SMILES
Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1- InChIKey
FSKFPVLPFLJRQB-UHFFFAOYSA-N- Molecular formula
- C16H23NO
- Average molar mass
- 245.36 g/mol
- Monoisotopic mass
- 245.17796436
Overview
2-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-1-propanone is an aromatic ketone.
Names & identifiers
- Preferred name
- Tolperisone
- IUPAC
- 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
- English name
- Tolperisone
- Molecular formula
- C16H23NO
- Molecular weight
- 245.36
Names & synonyms
tolperisone728-88-1MydetonMenopatolTolperisonaTolperisonum2,4'-Dimethyl-3-piperidinopropiophenone2-Methyl-3-piperidino-1-p-tolylpropan-1-one1-Piperidino-2-methyl-3-(p-tolyl)-3-propanoneF5EOM0LD8EN-553 FREE BASENSC-107321
Show more names
MidetonMydetoneAKOS 91983NSC 107321dl-TolperisoneAtmosgen free baseBesnoline free baseTolperisone USP/EP/BP
1-Propanone, 2-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-DTXSID8023686(+-)-TolperisoneRefChem:898549Hydrochloride, TolperisoneDTXCID303686M02AX06M03BX04
Database identifiers
- CAS
728-88-1- PubChem CID
- 5511
- DTXSID
DTXSID8023686- ChEMBL
CHEMBL1076211- ChEBI
CHEBI:93835- UNII
- F5EOM0LD8E
- EC Number
- 211-976-4
- Nikkaji
- J6.952C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 262
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Piperidines/PEA
Pharmaceuticals -> Used in Switzerland
Pharmaceuticals
LogP3.65
Collision Cross Section158 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 176.5 °C · 176.5°C
- Boiling point
- 388.33 °C · 388.33°C (rough estimate)
- Density
- 0.9672 · 0.9672 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- pka
- 8.47 · 8.47±0.10(Predicted)
- CAS DataBase Reference
- 728 · 728-88-1(CAS DataBase Reference)
- FDA UNII
- 5 EOM0LD8E · F5EOM0LD8E
- ATC code
- 2 AX06,M03BX04 · M02AX06,M03BX04
- Symbol(GHS)
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]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Tolperisone (EC: 211-976-4)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H312-H302
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Pharmacology
ATC Code
M - Musculo-skeletal system
M - Musculo-skeletal system
QM - Musculo-skeletal system
QM - Musculo-skeletal system
MeSH Pharmacological Classification
A heterogeneous group of drugs used to produce muscle relaxation, excepting the neuromuscular blocking agents. They have their primary clinical and therapeutic uses in the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. They have been used also for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in MULTIPLE SCLEROSIS. (From Smith and Reynard, Textbook of Pharmacology, 1991, p358)
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >2500
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 2-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-1-propanone is an aromatic ketone.
Suppliers
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Related reactions
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Compound notes
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