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CHEBI:112314 - [(2S,4S)-4-(4-bromophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone

ChEBI IDCHEBI:112314
ChEBI Name[(2S,4S)-4-(4-bromophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone
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DownloadsMolfile
FormulaC31H33BrN2O4
Net Charge0
Average Mass577.519
Monoisotopic Mass576.16237
SMILESO=C(C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C31H33BrN2O4/c32-28-12-10-26(11-13-28)27-18-29(38-30(19-27)37-22-25-8-6-24(21-35)7-9-25)31(36)34-16-14-33(15-17-34)20-23-4-2-1-3-5-23/h1-13,18,27,30,35H,14-17,19-22H2/t27-,30+/m1/s1
InChIKeyVXJGPQPIHWCJNM-OFSOJUDTSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[(2S,4S)-4-(4-bromophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone (CHEBI:112314) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-23726LINCS