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CHEBI:99048 - 2-[(3R,6aR,8R,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide

ChEBI IDCHEBI:99048
ChEBI Name2-[(3R,6aR,8R,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide
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DownloadsMolfile
FormulaC21H28Cl2N2O6
Net Charge0
Average Mass475.369
Monoisotopic Mass474.13244
SMILESCOCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1
InChIInChI=1S/C21H28Cl2N2O6/c1-29-5-4-24-20(27)9-17-2-3-18-19(31-17)12-30-11-16(26)10-25(18)21(28)13-6-14(22)8-15(23)7-13/h6-8,16-19,26H,2-5,9-12H2,1H3,(H,24,27)/t16-,17-,18-,19+/m1/s1
InChIKeyGXFSXISHSMAVNQ-MKXGPGLRSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8R,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide (CHEBI:99048) is a carbonyl compound (CHEBI:36586)
2-[(3R,6aR,8R,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide (CHEBI:99048) is a organohalogen compound (CHEBI:17792)
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