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CHEBI:3219 - bupropion

ChEBI IDCHEBI:3219
ChEBI Namebupropion
Stars
DefinitionAn aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring.
Last Modified6 February 2018
DownloadsMolfile

FormulaC13H18ClNO
Net Charge0
Average Mass239.746
Monoisotopic Mass239.10769
SMILESCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
InChIKeySNPPWIUOZRMYNY-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one
Synonym  Source
BupropionKEGG COMPOUND
Manual XrefsDatabases
C06860KEGG COMPOUND
BupropionWikipedia
DB01156DrugBank
CPD-3481MetaCyc
HMDB0001510HMDB
D07591KEGG DRUG
LSM-1267LINCS
435DrugCentral
Registry NumbersSources
Reaxys:2101062Reaxys
CAS:34841-39-9KEGG COMPOUND
CAS:34911-55-2ChemIDplus
Citations