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CHEBI:7954 - penbutolol

ChEBI IDCHEBI:7954
ChEBI Namepenbutolol
Stars
Last Modified22 February 2017
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-/m0/s1
InChIKeyKQXKVJAGOJTNJS-HNNXBMFYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
penbutolol (CHEBI:7954) is a ethanolamines (CHEBI:23981)
Incoming Relation(s)
penbutolol sulfate (CHEBI:7955) has functional parent penbutolol (CHEBI:7954)
Synonyms  Source
PenbutololKEGG COMPOUND
levopenbutololDrugCentral
penbutolol sulfateDrugCentral
betapressinDrugCentral
Manual XrefsDatabases
C07416KEGG COMPOUND
D08074KEGG DRUG
2078DrugCentral
HMDB0015447HMDB
Registry NumbersSources
CAS:38363-40-5KEGG COMPOUND