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CHEBI:750594 - adafenoxate

Default Structure
ChEBI IDCHEBI:750594
ChEBI Nameadafenoxate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC20H26ClNO3
Net Charge0
Average Mass363.885
Monoisotopic Mass363.16012
SMILESO=C(COc1ccc(Cl)cc1)OCCNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26ClNO3/c21-17-1-3-18(4-2-17)25-13-19(23)24-6-5-22-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,14-16,22H,5-13H2
InChIKeyPLSMXIQMWYSHIV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
adafenoxate (CHEBI:750594) is a monocarboxylic acid (CHEBI:25384)
INNs  Source
adafenoxateWHO MedNet
adafenoxatoWHO MedNet