CHEBI:116953 - 3-bromo-5-[[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-oxomethyl]-2-pyranone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-bromo-5-[[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-oxomethyl]-2-pyranone
ChEBI ID CHEBI:116953
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H22BrNO4
Net Charge 0
Average Mass 468.340
Monoisotopic Mass 467.07322
InChI InChI=1S/C24H22BrNO4/c25-21-15-17(16-30-23(21)28)22(27)26-13-11-20(12-14-26)24(29,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,15-16,20,29H,11-14H2
InChIKey TYWGSOVENKEVHU-UHFFFAOYSA-N
SMILES C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=O)C4=COC(=O)C(=C4)Br
ChEBI Ontology
Outgoing 3-bromo-5-[[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-oxomethyl]-2-pyranone (CHEBI:116953) is a diarylmethane (CHEBI:51614)
Manual Xref Database
LSM-28402 LINCS
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