CHEBI:130396 - 1-[(8S,9R,10R)-9-(4-bromophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(4-morpholinyl)ethanone

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ChEBI Name 1-[(8S,9R,10R)-9-(4-bromophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(4-morpholinyl)ethanone
ChEBI ID CHEBI:130396
Stars This entity has been manually annotated by a third party.
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Formula C21H30BrN3O3
Net Charge 0
Average Mass 452.386
Monoisotopic Mass 451.14706
InChI InChI=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
InChIKey KXKKPFBBPZKNMX-SVFBPWRDSA-N
SMILES C1CCN2[C@H](CN(C1)C(=O)CN3CCOCC3)[C@H]([C@@H]2CO)C4=CC=C(C=C4)Br
ChEBI Ontology
Outgoing 1-[(8S,9R,10R)-9-(4-bromophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(4-morpholinyl)ethanone (CHEBI:130396) is a azetidines (CHEBI:38777)
1-[(8S,9R,10R)-9-(4-bromophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(4-morpholinyl)ethanone (CHEBI:130396) is a benzenes (CHEBI:22712)
1-[(8S,9R,10R)-9-(4-bromophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(4-morpholinyl)ethanone (CHEBI:130396) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-41945 LINCS
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