CHEBI:169918 - N-desmethyltoremifene

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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 N-desmethyltoremifene
ChEBI ID CHEBI:169918
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H26ClNO
Net Charge 0
Average Mass 391.940
Monoisotopic Mass 391.17029
InChI InChI=1S/C25H26ClNO/c1-27-18-19-28-23-14-12-22(13-15-23)25(21-10-6-3-7-11-21)24(16-17-26)20-8-4-2-5-9-20/h2-15,27H,16-19H2,1H3/b25-24-
InChIKey WKJKBQYEFAFHCY-IZHYLOQSSA-N
SMILES ClCC/C(=C(/C1=CC=C(OCCNC)C=C1)\C2=CC=CC=C2)/C3=CC=CC=C3
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing N-desmethyltoremifene (CHEBI:169918) is a stilbenoid (CHEBI:26776)
IUPAC Name
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine
Manual Xrefs Databases
2299509 ChemSpider
HMDB0061051 HMDB
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Registry Number Type Source
110503-61-2 CAS Registry Number ChemIDplus