CHEBI:79042 - tasimelteon

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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 0
Average Mass 245.31690
Monoisotopic Mass 245.142
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.
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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
INNs Sources
tasimelteon KEGG DRUG
tasimelteón WHO MedNet
tasimeltéon WHO MedNet
tasimelteonum WHO MedNet
Synonyms Sources
BMS 214778 ChemIDplus
BMS-214778 ChemIDplus
VEC 162 ChemIDplus
VEC-162 ChemIDplus
Brand Name Source
Hetlioz ChemIDplus
Database Links Databases
4820 DrugCentral
D09388 KEGG DRUG
Tasimelteon Wikipedia
WO2007137224 Patent
WO2007137244 Patent
WO2013173707 Patent
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Registry Numbers Types Sources
15439325 Reaxys Registry Number Reaxys
609799-22-6 CAS Registry Number KEGG DRUG
609799-22-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017