CHEBI:177480 - Monatepil

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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 Monatepil
ChEBI ID CHEBI:177480
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H30FN3OS
Net Charge 0
Average Mass 475.630
Monoisotopic Mass 475.20936
InChI InChI=1S/C28H30FN3OS/c29-22-11-13-23(14-12-22)32-18-16-31(17-19-32)15-5-10-27(33)30-28-24-7-2-1-6-21(24)20-34-26-9-4-3-8-25(26)28/h1-4,6-9,11-14,28H,5,10,15-20H2,(H,30,33)
InChIKey WFNRNNUZFPVBSM-UHFFFAOYSA-N
SMILES S1C=2C(C(NC(=O)CCCN3CCN(CC3)C4=CC=C(F)C=C4)C=5C(C1)=CC=CC5)=CC=CC2
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Monatepil (CHEBI:177480) is a dibenzothiepine (CHEBI:38924)
IUPAC Name
N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4-[4-(4-luorophenyl)piperazin-1-yl]butanamide
Manual Xrefs Databases
54798 ChemSpider
D01171 KEGG DRUG
View more database links
Registry Number Type Source
103377-41-9 CAS Registry Number ChemIDplus