McN-A-343   Click here for help

GtoPdb Ligand ID: 290

Compound class: Synthetic organic
Comment: McN-A-343 is considered a bitopic ligand for muscarinic acetylcholine receptor in that it modulates allosteric and orthosteric binding sites [2].
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-]
Isomeric SMILES O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-]
InChI InChI=1S/C14H17ClN2O2.ClH/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13;/h6-8,11H,9-10H2,1-3H3;1H
InChI Key CXFZFEJJLNLOTA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium chloride
Database Links Click here for help
BindingDB Ligand 50006584
CAS Registry No. 55-45-8 (source: Scifinder)
ChEMBL Ligand CHEMBL74300
GtoPdb PubChem SID 135650571
PubChem CID 5926
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Tocris
McN-A 343
Cat. No. 1384