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CHEBI:79042 - tasimelteon

ChEBI IDCHEBI:79042
ChEBI Nametasimelteon
Stars
DefinitionA 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.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC15H19NO2
Net Charge0
Average Mass245.322
Monoisotopic Mass245.14158
SMILESCCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2
InChIInChI=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
InChIKeyPTOIAAWZLUQTIO-GXFFZTMASA-N
Wikipedia
Roles Classification
Biological Role:
melatonin receptor agonist  An agonist that binds to and activates melatonin receptors.
ChEBI Ontology
Outgoing Relation(s)
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  Source
tasimelteonKEGG DRUG
tasimelteónWHO MedNet
tasimelteonumWHO MedNet
tasimeltéonWHO MedNet
Synonyms  Source
BMS-214778ChemIDplus
BMS 214778ChemIDplus
VEC-162ChemIDplus
VEC 162ChemIDplus
Brand Name  Source
HetliozChemIDplus
Manual XrefsDatabases
D09388KEGG DRUG
WO2007137224Patent
WO2007137244Patent
WO2013173707Patent
TasimelteonWikipedia
4820DrugCentral
Registry NumbersSources
Reaxys:15439325Reaxys
CAS:609799-22-6KEGG DRUG
CAS:609799-22-6ChemIDplus
Citations