CHEBI:73289 - ICI 118551

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ChEBI Name ICI 118551
ChEBI ID CHEBI:73289
Definition An indane substituted at position 7 by a methyl group and at position 4 by a 3-(isopropylamino)-2-hydroxybutoxy group (the 2R,3S-diastereomer).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
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Formula C17H27NO2
Net Charge 0
Average Mass 277.40180
Monoisotopic Mass 277.20418
InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16-/m0/s1
InChIKey VFIDUCMKNJIJTO-BBRMVZONSA-N
SMILES CC(C)N[C@@H](C)[C@@H](O)COc1ccc(C)c2CCCc12
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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.
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ChEBI Ontology
Outgoing ICI 118551 (CHEBI:73289) has role β-adrenergic antagonist (CHEBI:35530)
ICI 118551 (CHEBI:73289) is a aromatic ether (CHEBI:35618)
ICI 118551 (CHEBI:73289) is a indanes (CHEBI:46940)
ICI 118551 (CHEBI:73289) is a secondary alcohol (CHEBI:35681)
ICI 118551 (CHEBI:73289) is a secondary amino compound (CHEBI:50995)
IUPAC Name
(2R,3S)-3-(isopropylamino)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]butan-2-ol
Manual Xrefs Databases
ICI-118,551 Wikipedia
WO2008075104 Patent
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Registry Number Type Source
18386360 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
23597562 PubMed citation Europe PMC
Last Modified
26 April 2013