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CHEBI:230498 - PNU-282987

Default Structure
ChEBI IDCHEBI:230498
ChEBI NamePNU-282987
Stars
DefinitionPNU-282987 is a potent alpha7 nicotinic acetylcholine receptor (nAChR) agonist. PNU-282987 is also a functional antagonist of the 5-HT3 receptor. PNU-282987 can be used for the research of central and peripheral nervous systems.
Submitterdelphine
DownloadsMolfile
FormulaC14H17ClN2O.HCl
Net Charge0
Average Mass301.217
Monoisotopic Mass300.07962
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1.[H]Cl
InChIInChI=1S/C14H17ClN2O.ClH/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17;/h1-4,10,13H,5-9H2,(H,16,18);1H/t13-;/m0./s1
InChIKeyHSEQUIRZHDYOIX-ZOWNYOTGSA-N
ChEBI Ontology
Outgoing Relation(s)
PNU-282987 (CHEBI:230498) is a organic molecular entity (CHEBI:50860)
Registry NumbersSources
CAS:123464-89-1SUBMITTER