CHEBI:177496 - pinadoline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name pinadoline
ChEBI ID CHEBI:177496
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H19Cl2N3O3
Net Charge 0
Average Mass 408.280
Monoisotopic Mass 407.08035
InChI InChI=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)
InChIKey OUNSOXPSCMCFHX-UHFFFAOYSA-N
SMILES ClC1=CC=2N(CC=3C(OC2C=C1)=CC=CC3)C(=O)NNC(=O)CCCCCl
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
35011 ChemSpider
D05483 KEGG DRUG
View more database links
Registry Number Type Source
38955-22-5 CAS Registry Number ChemIDplus