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CHEBI:1391 - 3,4-methylenedioxymethamphetamine

ChEBI IDCHEBI:1391
ChEBI Name3,4-methylenedioxymethamphetamine
Stars
DefinitionA member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a 2-(methylamino)propyl group at position 5.
Last Modified20 June 2016
DownloadsMolfile
FormulaC11H15NO2
Net Charge0
Average Mass193.246
Monoisotopic Mass193.11028
SMILESCNC(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
InChIKeySHXWCVYOXRDMCX-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
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:
neurotoxin  A poison that interferes with the functions of the nervous system.
Application:
central nervous system stimulant  Any drug that enhances the activity of the central nervous system.
ChEBI Ontology
Outgoing Relation(s)
3,4-methylenedioxymethamphetamine (CHEBI:1391) has role neurotoxin (CHEBI:50910)
3,4-methylenedioxymethamphetamine (CHEBI:1391) is a amphetamines (CHEBI:35338)
3,4-methylenedioxymethamphetamine (CHEBI:1391) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
Synonyms  Source
3,4-MethylenedioxymethamphetamineKEGG COMPOUND
N-Methyl-3,4-methylenedioxyamphetamineKEGG COMPOUND
MDMAChemIDplus
DL-(3,4-Methylenedioxy)methamphetamineChemIDplus
(RS)-3,4-(methylenedioxy)methamphetamineChemIDplus
N,α-dimethyl-1,3-benzodioxole-5-ethanamineNIST Chemistry WebBook
Manual XrefsDatabases
C07577KEGG COMPOUND
DB01454DrugBank
MDMAWikipedia
HMDB0041931HMDB
Registry NumbersSources
Reaxys:158675Reaxys
CAS:42542-10-9KEGG COMPOUND
CAS:42542-10-9ChemIDplus
Citations