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CHEBI:177604 - temanogrel

Default Structure
ChEBI IDCHEBI:177604
ChEBI Nametemanogrel
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28N4O4
Net Charge0
Average Mass436.512
Monoisotopic Mass436.21106
SMILESCOc1cccc(C(=O)Nc2ccc(OCCN3CCOCC3)c(-c3ccnn3C)c2)c1
InChIInChI=1S/C24H28N4O4/c1-27-22(8-9-25-27)21-17-19(26-24(29)18-4-3-5-20(16-18)30-2)6-7-23(21)32-15-12-28-10-13-31-14-11-28/h3-9,16-17H,10-15H2,1-2H3,(H,26,29)
InChIKeyZEOQUKRCASTCFR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
temanogrel (CHEBI:177604) is a benzamides (CHEBI:22702)
IUPAC Name 
3-methoxy-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide
Manual XrefsDatabases
9779281ChemSpider
D09976KEGG DRUG
Registry NumbersSources
CAS:887936-68-7ChemIDplus