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CHEBI:59331 - mephedrone

ChEBI IDCHEBI:59331
ChEBI Namemephedrone
Stars
DefinitionAn 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.
Last Modified6 February 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H15NO
Net Charge0
Average Mass177.247
Monoisotopic Mass177.11536
SMILESCNC(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3
InChIKeyYELGFTGWJGBAQU-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
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 (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
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:
central nervous system stimulant  Any drug that enhances the activity of the central nervous system.
ChEBI Ontology
Outgoing Relation(s)
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)
IUPAC Name 
2-(methylamino)-1-(4-methylphenyl)propan-1-one
Synonyms  Source
4-methylephedroneChEBI
4-methylmethcathinoneChEBI
4-MMCChEBI
Manual XrefsDatabases
HMDB0041923HMDB
MephedroneWikipedia
US2012094316Patent
Registry NumbersSources
Reaxys:2717770Reaxys
CAS:1189805-46-6ChemIDplus
Citations