CHEBI:180966 - (+)-Penbutolol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (+)-Penbutolol
ChEBI ID CHEBI:180966
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H29NO2
Net Charge 0
Average Mass 291.435
Monoisotopic Mass 291.21983
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-/m1/s1
InChIKey KQXKVJAGOJTNJS-OAHLLOKOSA-N
SMILES O(C=1C(C2CCCC2)=CC=CC1)C[C@H](O)CNC(C)(C)C
ChEBI Ontology
Outgoing (+)-Penbutolol (CHEBI:180966) is a aromatic ether (CHEBI:35618)
IUPAC Name
(2R)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol
Manual Xrefs Databases
142523 ChemSpider
C07416 KEGG COMPOUND
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Registry Number Type Source
38363-41-6 CAS Registry Number ChemIDplus