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CHEBI:754729 - adatanserin

Default Structure
ChEBI IDCHEBI:754729
ChEBI Nameadatanserin
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC21H31N5O
Net Charge0
Average Mass369.513
Monoisotopic Mass369.25286
SMILESO=C(NCCN1CCN(c2ncccn2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H31N5O/c27-19(21-13-16-10-17(14-21)12-18(11-16)15-21)22-4-5-25-6-8-26(9-7-25)20-23-2-1-3-24-20/h1-3,16-18H,4-15H2,(H,22,27)
InChIKeyHPFLVTSWRFCPCV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
adatanserin (CHEBI:754729) is a N-arylpiperazine (CHEBI:46848)
INNs  Source
adatanserinWHO MedNet
adatanserinaWHO MedNet
adatanserineWHO MedNet
Synonym  Source
WY-50324ChEMBL