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CHEBI:228642 - 1-(4-benzhydrylpiperidino)-2,2,2-trichloroethan-1-one

ChEBI IDCHEBI:228642
ChEBI Name1-(4-benzhydrylpiperidino)-2,2,2-trichloroethan-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20Cl3NO
Net Charge0
Average Mass396.745
Monoisotopic Mass395.06105
SMILESO=C(N1CCC(C(c2ccccc2)c2ccccc2)CC1)C(Cl)(Cl)Cl
InChIInChI=1S/C20H20Cl3NO/c21-20(22,23)19(25)24-13-11-17(12-14-24)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyVGQXKYRWNNYCTH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
1-(4-benzhydrylpiperidino)-2,2,2-trichloroethan-1-one (CHEBI:228642) is a diarylmethane (CHEBI:51614)
IUPAC Name 
1-(4-benzhydrylpiperidin-1-yl)-2,2,2-trichloroethanone
Manual XrefsDatabases
2079444ChemSpider