CHEBI:128259 - (6R,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:128259
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C13H15BrN2O2
Net Charge 0
Average Mass 311.174
Monoisotopic Mass 310.03169
InChI InChI=1S/C13H15BrN2O2/c14-9-3-1-8(2-4-9)13-10-5-15-6-12(18)16(10)11(13)7-17/h1-4,10-11,13,15,17H,5-7H2/t10-,11+,13-/m0/s1
InChIKey CPZPDKPINUWRBY-LOWVWBTDSA-N
SMILES C1[C@H]2[C@@H]([C@H](N2C(=O)CN1)CO)C3=CC=C(C=C3)Br
ChEBI Ontology
Outgoing (6R,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128259) is a azetidines (CHEBI:38777)
(6R,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128259) is a benzenes (CHEBI:22712)
(6R,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128259) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-39814 LINCS
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