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CHEBI:106070 - [(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone

ChEBI IDCHEBI:106070
ChEBI Name[(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone
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DownloadsMolfile
FormulaC30H36N2O4S
Net Charge0
Average Mass520.695
Monoisotopic Mass520.23958
SMILESCCO[C@@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@H](c2csc3ccccc23)[C@H]1CCCO
InChIInChI=1S/C30H36N2O4S/c1-2-35-30-24(12-8-18-33)25(26-21-37-28-13-7-6-11-23(26)28)19-27(36-30)29(34)32-16-14-31(15-17-32)20-22-9-4-3-5-10-22/h3-7,9-11,13,19,21,24-25,30,33H,2,8,12,14-18,20H2,1H3/t24-,25+,30-/m1/s1
InChIKeyRHQPDZCTKOVIKR-UNHDOIQYSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone (CHEBI:106070) is a 1-benzothiophenes (CHEBI:38836)
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