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CHEBI:79042 - tasimelteon

Default Structure
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.
Applications:
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
ChEBI Ontology
Outgoing Relation(s)
tasimelteon (CHEBI:79042) has functional parent propionamide (CHEBI:45422)
tasimelteon (CHEBI:79042) has role antidepressant (CHEBI:35469)
tasimelteon (CHEBI:79042) has role melatonin receptor agonist (CHEBI:79046)
tasimelteon (CHEBI:79042) has role renoprotective agent (CHEBI:231911)
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
tasimeltéonWHO MedNet
tasimelteonumWHO MedNet
Synonyms  Source
BMS 214778ChemIDplus
BMS-214,778ChEMBL
BMS-214778ChemIDplus
VEC 162ChemIDplus
VEC-162ChemIDplus
Brand Names  Source
HetliozChemIDplus
Hetlioz lqChEMBL
Manual XrefsDatabases
4820DrugCentral
D09388KEGG DRUG
TasimelteonWikipedia
WO2007137224Patent
WO2007137244Patent
WO2013173707Patent
Registry NumbersSources
Reaxys:15439325Reaxys
CAS:609799-22-6ChemIDplus
CAS:609799-22-6KEGG DRUG
Citations