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Tolperisone hydrochloride - 10mM in DMSO, high purity , CAS No.3644-61-9
Voltage-gated Na + and Ca 2+ channel blocker. Antispastic agent.
Basic Description
Synonyms
H12066 | 2-Methyl-3-piperidino-1-p-tolylpropan-1-one hydrochloride | NAISMERITIN | Tolperisone hydrochloride [JAN] | DTXCID0025868 | Tolperisone hydrochloride, >=98% (HPLC), solid | NCGC00094929-01 | FT-0675274 | Midocalm | N-553 | 2-methyl-3-(piperidin-1
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Voltage-gated Na + and Ca 2+ channel blocker. Antispastic agent. Centrally acting muscle relaxant (IC 50 = 50 μM, peak-to-peak amplitude of monosynaptic compound action potential). Shows analgesic and anticonvulsant effects in vivo . Orally active.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Tolperisone hydrochloride is an ion channel blocker and centrally-acting muscle relaxant
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Phenylpropanes Benzoyl derivatives Aryl alkyl ketones Toluenes Piperidines Beta-amino ketones Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpropane - Benzoyl - Aryl alkyl ketone - Toluene - Monocyclic benzene moiety - Beta-aminoketone - Piperidine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
INCHI
InChI=1S/C16H23NO.ClH/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17;/h6-9,14H,3-5,10-12H2,1-2H3;1H
InChIKey
ZBUVYROEHQQAKL-UHFFFAOYSA-N
Smiles
CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.Cl
Isomeric SMILES
CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.Cl
WGK Germany
3
RTECS
UH1575500
PubChem CID
92965
Molecular Weight
281.82
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
281.820 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
281.155 Da
Monoisotopic Mass
281.155 Da
Topological Polar Surface Area
20.300 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
262.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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