CGP 12177 (CHEBI:73288)

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ChEBI Name	CGP 12177

ChEBI ID	CHEBI:73288

Definition	A benzimidazole that is benzimidazol-2-one substituted at position 4 by a 3-(tert-butylamino)-2-hydroxypropoxy group.

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

Submitter	Margaret Duesbury

Supplier Information

Download	Molfile XML SDF

Formula

C14H21N3O3

Net Charge

Average Mass

279.33480

Monoisotopic Mass

279.15829

InChI

InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)

InChIKey

UMQUQWCJKFOUGV-UHFFFAOYSA-N

SMILES

CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]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.

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.

ChEBI Ontology
Outgoing	CGP 12177 (CHEBI:73288) has role β-adrenergic antagonist (CHEBI:35530) CGP 12177 (CHEBI:73288) is a aromatic ether (CHEBI:35618) CGP 12177 (CHEBI:73288) is a benzimidazoles (CHEBI:22715) CGP 12177 (CHEBI:73288) is a secondary alcohol (CHEBI:35681) CGP 12177 (CHEBI:73288) is a secondary amino compound (CHEBI:50995)

IUPAC Name

4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydro-2H-benzimidazol-2-one

Synonyms	Sources
4-(3-tert-Butylamino-2-hydroxypropoxy)benzimidazol-2-one	ChemIDplus
Cgp 12177A	ChemIDplus
Cgp-12177	ChemIDplus

Last Modified

24 February 2016