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CHEBI:756809 - ono-2952

Default Structure
ChEBI IDCHEBI:756809
ChEBI Nameono-2952
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC22H20ClFN2O2
Net Charge0
Average Mass398.865
Monoisotopic Mass398.11973
SMILESCOc1cc(Cl)ccc1[C@H]1c2nc3cccc(F)c3c2C2(CC2)CN1C(C)=O
InChIInChI=1S/C22H20ClFN2O2/c1-12(27)26-11-22(8-9-22)19-18-15(24)4-3-5-16(18)25-20(19)21(26)14-7-6-13(23)10-17(14)28-2/h3-7,10,21,25H,8-9,11H2,1-2H3/t21-/m0/s1
InChIKeyZBQMTQGDBFZUBG-NRFANRHFSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antispasmodic drug  A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder.
ChEBI Ontology
Outgoing Relation(s)
ono-2952 (CHEBI:756809) has role antispasmodic drug (CHEBI:53784)
ono-2952 (CHEBI:756809) is a harmala alkaloid (CHEBI:61379)
Synonym  Source
Ono-2952ChEMBL