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CHEBI:126239 - 1-[(8S,9S,10R)-9-(4-bromophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(4-morpholinyl)ethanone

ChEBI IDCHEBI:126239
ChEBI Name1-[(8S,9S,10R)-9-(4-bromophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(4-morpholinyl)ethanone
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DownloadsMolfile
FormulaC21H30BrN3O3
Net Charge0
Average Mass452.393
Monoisotopic Mass451.14705
SMILESO=C(CN1CCOCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO
InChIInChI=1S/C21H30BrN3O3/c22-17-5-3-16(4-6-17)21-18-13-24(7-1-2-8-25(18)19(21)15-26)20(27)14-23-9-11-28-12-10-23/h3-6,18-19,21,26H,1-2,7-15H2/t18-,19+,21+/m1/s1
InChIKeyKXKKPFBBPZKNMX-DYXWJJEUSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(8S,9S,10R)-9-(4-bromophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(4-morpholinyl)ethanone (CHEBI:126239) is a azetidines (CHEBI:38777)
1-[(8S,9S,10R)-9-(4-bromophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(4-morpholinyl)ethanone (CHEBI:126239) is a benzenes (CHEBI:22712)
1-[(8S,9S,10R)-9-(4-bromophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(4-morpholinyl)ethanone (CHEBI:126239) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
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