[3H]oxotremorine-M   Click here for help

GtoPdb Ligand ID: 8595

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Comment: The position of the tritiated hydrogen is not specified in the available literature therefore we do not show it in our structure.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 20.31
Molecular weight 195.15
XLogP -0.18
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=C1CCCN1CC#CC[N+](C)(C)C
Isomeric SMILES O=C1CCCN1CC#CC[N+](C)(C)C
InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
InChI Key CANZROMYQDHYHR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azanium
Database Links Click here for help
Specialist databases
GPCRdb Ligand [3H]oxotremorine-M
Other databases
GtoPdb PubChem SID 252166796
PubChem CID 4629
Search Google for chemical match using the InChIKey CANZROMYQDHYHR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CANZROMYQDHYHR
UniChem Compound Search for chemical match using the InChIKey CANZROMYQDHYHR-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey CANZROMYQDHYHR-UHFFFAOYSA-N