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CHEBI:180966 - (+)-Penbutolol

ChEBI IDCHEBI:180966
ChEBI Name(+)-Penbutolol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H29NO2
Net Charge0
Average Mass291.435
Monoisotopic Mass291.21983
SMILESCC(C)(C)NC[C@@H](O)COc1ccccc1C1CCCC1
InChIInChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m1/s1
InChIKeyKQXKVJAGOJTNJS-OAHLLOKOSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-Penbutolol (CHEBI:180966) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(2R)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol
Manual XrefsDatabases
C07416KEGG COMPOUND
142523ChemSpider
Registry NumbersSources
CAS:38363-41-6ChemIDplus