CHEBI:187519 - YM-53601

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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 YM-53601
ChEBI ID CHEBI:187519
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H21FN2O.ClH
Net Charge 0
Average Mass 372.870
Monoisotopic Mass 372.14047
InChI InChI=1S/C21H21FN2O.ClH/c22-19(18-12-24-9-7-14(18)8-10-24)13-25-15-5-6-17-16-3-1-2-4-20(16)23-21(17)11-15;/h1-6,11,14,23H,7-10,12-13H2;1H
InChIKey JWXYVHMBPISIJQ-UHFFFAOYSA-N
SMILES Cl.FC(=C1C2CCN(CC2)C1)COC3=CC=4NC=5C(C4C=C3)=CC=CC5
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing YM-53601 (CHEBI:187519) is a carbazoles (CHEBI:48513)
IUPAC Name
2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-luoroethoxy]-9H-carbazole;hydrochloride
Manual Xref Database
8083184 ChemSpider
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