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CHEBI:177576 - Vetrabutine

ChEBI IDCHEBI:177576
ChEBI NameVetrabutine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27NO2
Net Charge0
Average Mass313.441
Monoisotopic Mass313.20418
SMILESCOc1ccc(C(CCCc2ccccc2)N(C)C)cc1OC
InChIInChI=1S/C20H27NO2/c1-21(2)18(12-8-11-16-9-6-5-7-10-16)17-13-14-19(22-3)20(15-17)23-4/h5-7,9-10,13-15,18H,8,11-12H2,1-4H3
InChIKeyHEFVRVOEBZDOJU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Vetrabutine (CHEBI:177576) is a benzenes (CHEBI:22712)
Vetrabutine (CHEBI:177576) is a organic amino compound (CHEBI:50047)
IUPAC Name 
1-(3,4-dimethoxyphenyl)-N,N-dimethyl-4-phenylbutan-1-amine
Manual XrefsDatabases
D08671KEGG DRUG
99743ChemSpider
Registry NumbersSources
CAS:3735-45-3ChemIDplus