CHEBI:7954 - penbutolol

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ChEBI Name penbutolol
ChEBI ID CHEBI:7954
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H29NO2
Net Charge 0
Average Mass 291.429
Monoisotopic Mass 291.220
InChI InChI=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
InChIKey KQXKVJAGOJTNJS-HNNXBMFYSA-N
SMILES CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing penbutolol (CHEBI:7954) is a ethanolamines (CHEBI:23981)
Incoming penbutolol sulfate (CHEBI:7955) has functional parent penbutolol (CHEBI:7954)
Synonyms Sources
betapressin DrugCentral
levopenbutolol DrugCentral
Penbutolol KEGG COMPOUND
penbutolol sulfate DrugCentral
Manual Xrefs Databases
2078 DrugCentral
C07416 KEGG COMPOUND
D08074 KEGG DRUG
View more database links
Registry Number Type Source
38363-40-5 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017