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CHEBI:102701 - 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide

ChEBI IDCHEBI:102701
ChEBI Name2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide
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DownloadsMolfile
FormulaC21H29F3N2O4
Net Charge0
Average Mass430.467
Monoisotopic Mass430.20794
SMILESCN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C21H29F3N2O4/c1-25(2)20(28)9-17-7-8-18-19(30-17)13-29-12-16(27)11-26(18)10-14-3-5-15(6-4-14)21(22,23)24/h3-6,16-19,27H,7-13H2,1-2H3/t16-,17-,18+,19-/m1/s1
InChIKeyOUTWOBHUWTVFCP-AKHDSKFASA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide (CHEBI:102701) is a (trifluoromethyl)benzenes (CHEBI:83565)
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