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CHEBI:107856 - [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl]methanone

ChEBI IDCHEBI:107856
ChEBI Name[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl]methanone
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FormulaC28H33BrN2O6
Net Charge0
Average Mass573.484
Monoisotopic Mass572.15220
SMILESO=C(C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C28H33BrN2O6/c29-23-6-4-21(5-7-23)22-16-26(37-27(17-22)34-14-2-1-13-32)28(33)31-11-9-30(10-12-31)18-20-3-8-24-25(15-20)36-19-35-24/h3-8,15-16,22,27,32H,1-2,9-14,17-19H2/t22-,27+/m0/s1
InChIKeyIZLJQDMHULWICH-WXVAWEFUSA-N
ChEBI Ontology
Outgoing Relation(s)
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl]methanone (CHEBI:107856) is a benzodioxoles (CHEBI:38298)
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