N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine (CHEBI:64098)

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ChEBI Name	N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine

ChEBI ID	CHEBI:64098

ChEBI ASCII Name	N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine

Definition	A benzodioxine that is 2,3-dihydro-1,4-benzodioxine bearing a [(2',6'-dimethoxyphenoxy)ethylamino]methyl group at position 2. An α1A-adrenergic selective antagonist.

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

Supplier Information

Download	Molfile XML SDF

Formula

C19H23NO5

Net Charge

Average Mass

345.38960

Monoisotopic Mass

345.15762

InChI

InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3

InChIKey

GYSZUJHYXCZAKI-UHFFFAOYSA-N

SMILES

COc1cccc(OC)c1OCCNCC1COc2ccccc2O1

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):	alpha-adrenergic antagonist An agent that binds to but does not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous alpha-adrenergic agonists. alpha-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.

Application(s):	alpha-adrenergic antagonist An agent that binds to but does not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous alpha-adrenergic agonists. alpha-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.

ChEBI Ontology
Outgoing	N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine (CHEBI:64098) has role α-adrenergic antagonist (CHEBI:37890) N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine (CHEBI:64098) is a aromatic ether (CHEBI:35618) N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine (CHEBI:64098) is a benzodioxine (CHEBI:64096) N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine (CHEBI:64098) is a secondary amino compound (CHEBI:50995) N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine (CHEBI:64098) is conjugate base of N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanaminium(1+) (CHEBI:64097)

Incoming	N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanaminium(1+) (CHEBI:64097) is conjugate acid of N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine (CHEBI:64098)

IUPAC Name

N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine

Synonyms	Sources
(2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane	ChemIDplus
(2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzodioxan	ChemIDplus
N-(2-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-1,4-benzodioxin-2-methanamine	ChemIDplus
WB 4101	ChemIDplus
WB-4101	ChemIDplus
WB4101	ChemIDplus

Registry Number	Type	Source
4206776	Reaxys Registry Number	Reaxys

Last Modified

25 February 2016