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CHEBI:177496 - pinadoline

ChEBI IDCHEBI:177496
ChEBI Namepinadoline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H19Cl2N3O3
Net Charge0
Average Mass408.285
Monoisotopic Mass407.08035
SMILESO=C(CCCCCl)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21
InChIInChI=1S/C19H19Cl2N3O3/c20-10-4-3-7-18(25)22-23-19(26)24-12-13-5-1-2-6-16(13)27-17-9-8-14(21)11-15(17)24/h1-2,5-6,8-9,11H,3-4,7,10,12H2,(H,22,25)(H,23,26)
InChIKeyOUNSOXPSCMCFHX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
pinadoline (CHEBI:177496) is a aromatic ether (CHEBI:35618)
IUPAC Name 
3-chloro-N'-(5-chloropentanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
Manual XrefsDatabases
35011ChemSpider
D05483KEGG DRUG
Registry NumbersSources
CAS:38955-22-5ChemIDplus