CHEBI:102259 - 2-[(3S,6aS,8R,10aS)-1-[(3-fluorophenyl)methyl]-3-hydroxy-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,6aS,8R,10aS)-1-[(3-fluorophenyl)methyl]-3-hydroxy-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:102259
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H34FN3O4
Net Charge 0
Average Mass 435.533
Monoisotopic Mass 435.25333
InChI InChI=1S/C23H34FN3O4/c1-25-7-9-26(10-8-25)23(29)12-20-5-6-21-22(31-20)16-30-15-19(28)14-27(21)13-17-3-2-4-18(24)11-17/h2-4,11,19-22,28H,5-10,12-16H2,1H3/t19-,20+,21-,22+/m0/s1
InChIKey UZQWVSGPDQQYNK-LNRXMEIDSA-N
SMILES CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3CC4=CC(=CC=C4)F)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 )
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ChEBI Ontology
Outgoing 2-[(3S,6aS,8R,10aS)-1-[(3-fluorophenyl)methyl]-3-hydroxy-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:102259) is a aromatic amine (CHEBI:33860)
Manual Xref Database
LSM-13613 LINCS
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