CHEBI:59331 - mephedrone

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ChEBI Name mephedrone
Definition An aromatic ketone that is propiophenone substituted at C-4 and at C-β with methyl and methylamino groups respectively. It is a synthetic stimulant and entactogen drug of the amphetamine and cathinone classes.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C11H15NO
Net Charge 0
Average Mass 177.24290
Monoisotopic Mass 177.11536
InChI InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3
SMILES CNC(C)C(=O)c1ccc(C)cc1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): central nervous system stimulant
Any drug that enhances the activity of the central nervous system.
(via amphetamines )
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ChEBI Ontology
Outgoing mephedrone (CHEBI:59331) has functional parent propiophenone (CHEBI:425902)
mephedrone (CHEBI:59331) has role environmental contaminant (CHEBI:78298)
mephedrone (CHEBI:59331) has role xenobiotic (CHEBI:35703)
mephedrone (CHEBI:59331) is a amphetamines (CHEBI:35338)
mephedrone (CHEBI:59331) is a aromatic ketone (CHEBI:76224)
mephedrone (CHEBI:59331) is a secondary amino compound (CHEBI:50995)
Synonyms Sources
4-methylephedrone ChEBI
4-methylmethcathinone ChEBI
Manual Xrefs Databases
HMDB0041923 HMDB
Mephedrone Wikipedia
US2012094316 Patent
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Registry Numbers Types Sources
1189805-46-6 CAS Registry Number ChemIDplus
2717770 Reaxys Registry Number Reaxys
2717770 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
23949206 PubMed citation Europe PMC
24446273 PubMed citation Europe PMC
24456744 PubMed citation Europe PMC
Last Modified
06 February 2018
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag