CHEBI:100766 - 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone

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ChEBI Name 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone ChEBI ID CHEBI:100766 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H39N3O5 Net Charge 0 Average Mass 425.563 Monoisotopic Mass 425.28897 InChI InChI=1S/C22H39N3O5/c1-23-6-8-24(9-7-23)22(27)12-19-2-3-20-21(30-19)16-29-15-18(26)14-25(20)13-17-4-10-28-11-5-17/h17-21,26H,2-16H2,1H3/t18-,19-,20+,21-/m0/s1 InChIKey MTMISLSQWFYTRE-BURNTYAHSA-N SMILES CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4CCOCC4)O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone (CHEBI:100766) is a N-methylpiperazine (CHEBI:46920) Manual Xref Database LSM-12140 LINCS View more database links