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CHEBI:107331 - [(2S,4S)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone

ChEBI IDCHEBI:107331
ChEBI Name[(2S,4S)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone
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DownloadsMolfile
FormulaC33H34N2O4S
Net Charge0
Average Mass554.712
Monoisotopic Mass554.22393
SMILESO=C(C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C33H34N2O4S/c36-21-25-10-12-26(13-11-25)22-38-32-19-27(29-23-40-31-9-5-4-8-28(29)31)18-30(39-32)33(37)35-16-14-34(15-17-35)20-24-6-2-1-3-7-24/h1-13,18,23,27,32,36H,14-17,19-22H2/t27-,32+/m1/s1
InChIKeyPTTHOVHGPPERMY-ZUKKLESISA-N
ChEBI Ontology
Outgoing Relation(s)
[(2S,4S)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone (CHEBI:107331) is a 1-benzothiophenes (CHEBI:38836)
Manual XrefsDatabases
LSM-18685LINCS