tasimelteon (CHEBI:79042)

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ChEBI Name	tasimelteon

ChEBI ID	CHEBI:79042

Definition	A member of the class of 1-benzofurans that is propionamide in which one of the amide hydrogens is replaced by a [(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl group. A melatonin receptor agonist used for the treatment of non-24-hour sleep-wake disorder.

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

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Formula

C15H19NO2

Net Charge

Average Mass

245.31690

Monoisotopic Mass

245.14158

InChI

InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1

InChIKey

PTOIAAWZLUQTIO-GXFFZTMASA-N

SMILES

CCC(=O)NC[C@@H]1C[C@H]1c1cccc2OCCc12

Roles Classification
Biological Role(s):	melatonin receptor agonist An agonist that binds to and activates melatonin receptors.

ChEBI Ontology
Outgoing	tasimelteon (CHEBI:79042) has functional parent propionamide (CHEBI:45422) tasimelteon (CHEBI:79042) has role melatonin receptor agonist (CHEBI:79046) tasimelteon (CHEBI:79042) is a 1-benzofurans (CHEBI:38830) tasimelteon (CHEBI:79042) is a cyclopropanes (CHEBI:51454) tasimelteon (CHEBI:79042) is a monocarboxylic acid amide (CHEBI:29347)

IUPAC Name

N-{[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl}propanamide

Brand Name	Source
Hetlioz	ChemIDplus

Last Modified

22 February 2017