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

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

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ChEBI ID	CHEBI:64098
ChEBI Name	N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
Stars
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.
Last Modified	25 February 2016
Submitter	Steve
Downloads	Molfile

Formula	C19H23NO5
Net Charge	0
Average Mass	345.395
Monoisotopic Mass	345.15762
SMILES	COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
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

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:	alpha-adrenergic antagonist An agent that binds to but does not activate α-adrenergic receptors thereby blocking the actions of endogenous or exogenous α-adrenergic agonists. α-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
Application:	alpha-adrenergic antagonist An agent that binds to but does not activate α-adrenergic receptors thereby blocking the actions of endogenous or exogenous α-adrenergic agonists. α-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
Incoming Relation(s)	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	Source
WB 4101	ChemIDplus
WB4101	ChemIDplus
WB-4101	ChemIDplus
(2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzodioxan	ChemIDplus
(2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane	ChemIDplus
N-(2-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-1,4-benzodioxin-2-methanamine	ChemIDplus

Manual Xrefs	Databases
LSM-15338	LINCS

Registry Numbers	Sources
Reaxys:4206776	Reaxys

Citations