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CHEBI:97394 - 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(oxan-4-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methylpiperazin-1-yl)ethanone

ChEBI IDCHEBI:97394
ChEBI Name2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(oxan-4-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methylpiperazin-1-yl)ethanone
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DownloadsMolfile
FormulaC22H39N3O5
Net Charge0
Average Mass425.570
Monoisotopic Mass425.28897
SMILESCN1CCN(C(=O)C[C@@H]2CC[C@H]3[C@@H](COC[C@H](O)CN3CC3CCOCC3)O2)CC1
InChIInChI=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-/m1/s1
InChIKeyMTMISLSQWFYTRE-IVAOSVALSA-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)
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(oxan-4-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methylpiperazin-1-yl)ethanone (CHEBI:97394) is a N-methylpiperazine (CHEBI:46920)
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