CHEBI:7955 - penbutolol sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name penbutolol sulfate
ChEBI ID CHEBI:7955
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae 2C18H29NO2.H2O4S
C36H60N2O8S
Net Charge 0
Average Mass 680.938
Monoisotopic Mass 680.40704
InChI InChI=1S/2C18H29NO2.H2O4S/c2*1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14;1-5(2,3)4/h2*6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3;(H2,1,2,3,4)/t2*15-;/m00./s1
InChIKey FEDSNBHHWZEYTP-ZFQYHYQMSA-N
SMILES S(O)(O)(=O)=O.C(NC(C)(C)C)[C@@H](COC1=C(C=CC=C1)C2CCCC2)O.C(NC(C)(C)C)[C@@H](COC1=C(C=CC=C1)C2CCCC2)O
Roles Classification
Biological Role(s): beta-adrenergic antagonist
An agent that binds to but does not activate beta-adrenergic receptors thereby blocking the actions of endogenous or exogenous beta-adrenergic agonists. beta-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
Application(s): beta-adrenergic antagonist
An agent that binds to but does not activate beta-adrenergic receptors thereby blocking the actions of endogenous or exogenous beta-adrenergic agonists. beta-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing penbutolol sulfate (CHEBI:7955) has functional parent penbutolol (CHEBI:7954)
penbutolol sulfate (CHEBI:7955) has role β-adrenergic antagonist (CHEBI:35530)
penbutolol sulfate (CHEBI:7955) is a ethanolamine sulfate salt (CHEBI:38016)
Synonyms Sources
Levatol (TN) KEGG COMPOUND
Penbutolol sulfate KEGG COMPOUND
Manual Xref Database
D00602 KEGG DRUG
View more database links
Registry Number Type Source
38363-32-5 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017