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CHEBI:28346 - mescaline

ChEBI IDCHEBI:28346
ChEBI Namemescaline
Stars
DefinitionA phenethylamine alkaloid that is phenethylamine substituted at positions 3, 4 and 5 by methoxy groups.
Secondary ChEBI IDsCHEBI:6776, CHEBI:25202
Last Modified9 September 2024
DownloadsMolfile

FormulaC11H17NO3
Net Charge0
Average Mass211.261
Monoisotopic Mass211.12084
SMILESCOc1cc(CCN)cc(OC)c1OC
InChIInChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3
InChIKeyRHCSKNNOAZULRK-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
2-(3,4,5-trimethoxyphenyl)ethanamine
Synonyms  Source
MescalineKEGG COMPOUND
3,4,5-trimethoxybenzeneethanamineNIST Chemistry WebBook
Meskalin  deChEBI
Mescalin  deChemIDplus
mescalina  esChEBI
mezcalina  esChEBI
Manual XrefsDatabases
C06546KEGG COMPOUND
C00001419KNApSAcK
MescalineWikipedia
DB19083DrugBank
HMDB0254474HMDB
Registry NumbersSources
Reaxys:1374088Reaxys
CAS:54-04-6KEGG COMPOUND
CAS:54-04-6ChemIDplus
CAS:54-04-6NIST Chemistry WebBook
Citations