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CHEBI:7955 - penbutolol sulfate

ChEBI IDCHEBI:7955
ChEBI Namepenbutolol sulfate
Stars
Last Modified6 March 2017
DownloadsMolfile
Formula2C18H29NO2.H2O4S
Net Charge0
Average Mass680.949
Monoisotopic Mass680.40704
SMILESCC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1.CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1.O=S(=O)(O)O
InChIInChI=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
InChIKeyFEDSNBHHWZEYTP-ZFQYHYQMSA-N
Roles Classification
Biological Role:
beta-adrenergic antagonist  An agent that binds to but does not activate β-adrenergic receptors thereby blocking the actions of endogenous or exogenous β-adrenergic agonists. β-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
Application:
beta-adrenergic antagonist  An agent that binds to but does not activate β-adrenergic receptors thereby blocking the actions of endogenous or exogenous β-adrenergic agonists. β-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
ChEBI Ontology
Outgoing Relation(s)
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  Source
Penbutolol sulfateKEGG COMPOUND
Levatol (TN)KEGG COMPOUND
Manual XrefsDatabases
D00602KEGG DRUG
Registry NumbersSources
CAS:38363-32-5KEGG COMPOUND