iodocyanopindolol (CHEBI:73370)

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ChEBI Name	iodocyanopindolol

ChEBI ID	CHEBI:73370

Definition	An indole that is 1H-indole substituted at positions 2, 3 and 7 by cyano, iodo and 3-(tert-butylamino)-2-hydroxypropoxy groups respectively.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Margaret Duesbury

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Formula

C16H20IN3O2

Net Charge

Average Mass

413.25340

Monoisotopic Mass

413.06002

InChI

InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3

InChIKey

JBLUMBNIBNHRSO-UHFFFAOYSA-N

SMILES

CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12

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. serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.

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. serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.

ChEBI Ontology
Outgoing	iodocyanopindolol (CHEBI:73370) has role β-adrenergic antagonist (CHEBI:35530) iodocyanopindolol (CHEBI:73370) has role serotonergic antagonist (CHEBI:48279) iodocyanopindolol (CHEBI:73370) is a aromatic ether (CHEBI:35618) iodocyanopindolol (CHEBI:73370) is a indoles (CHEBI:24828) iodocyanopindolol (CHEBI:73370) is a nitrile (CHEBI:18379) iodocyanopindolol (CHEBI:73370) is a organoiodine compound (CHEBI:37142) iodocyanopindolol (CHEBI:73370) is a secondary alcohol (CHEBI:35681) iodocyanopindolol (CHEBI:73370) is a secondary amino compound (CHEBI:50995)

IUPAC Name

4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-iodo-1-indole-2-carbonitrile

Synonym	Source
4-(2-Hydroxy-3-(tert-butylamino)propoxy)-3-iodo-1H-indole-2-carbonitrile	ChemIDplus

Last Modified

03 May 2013