CHEBI:134990 - agomelatine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name agomelatine
ChEBI ID CHEBI:134990
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB8500647, eMolecules:6843821, Selleckchem:Agomelatine, ZINC000000005608
Download Molfile XML SDF
Formula C15H17NO2
Net Charge 0
Average Mass 243.302
Monoisotopic Mass 243.12593
InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKey YJYPHIXNFHFHND-UHFFFAOYSA-N
SMILES COC1=CC2=C(C=CC=C2CCNC(C)=O)C=C1
ChEBI Ontology
Outgoing agomelatine (CHEBI:134990) is a acetamides (CHEBI:22160)
Synonyms Sources
S-20098 DrugCentral
S20098 DrugCentral
thymanax DrugCentral
valdoxan DrugCentral
Manual Xrefs Databases
99 DrugCentral
HMDB0015636 HMDB
View more database links
Registry Number Type Source
138112-76-2 CAS Registry Number DrugCentral
Last Modified
23 February 2017