roxindole (CHEBI:48558)

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ChEBI Name	roxindole

ChEBI ID	CHEBI:48558

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

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Formula

C23H26N2O

Net Charge

Average Mass

346.466

Monoisotopic Mass

346.20451

InChI

InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2

InChIKey

HGEYJZMMUGWEOT-UHFFFAOYSA-N

SMILES

C1=C(C2=CC=CC=C2)CCN(CCCCC=3C=4C(=CC=C(C4)O)NC3)C1

Roles Classification
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. serotonergic drug

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. serotonergic drug

ChEBI Ontology
Outgoing	roxindole (CHEBI:48558) has role α-adrenergic antagonist (CHEBI:37890) roxindole (CHEBI:48558) has role serotonergic drug (CHEBI:48278) roxindole (CHEBI:48558) is a indoles (CHEBI:24828)

IUPAC Name

3-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-1H-indol-5-ol

Synonyms	Sources
3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-1H-indol-5-ol	ChemIDplus
3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol	IUPHAR

Last Modified

06 July 2016