[3H]tiotropium

Ligand id: 8592

Name: [3H]tiotropium    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 115.54
Molecular weight 392.1
XLogP 1.93
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1R,2R,4S,5S)-7-{[2-hydroxy-2,2-bis(thiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium
Database Links
PubChem CID 5487427
Search Google for chemical match using the InChIKey LERNTVKEWCAPOY-FPISHFTHSA-N
Search Google for chemicals with the same backbone LERNTVKEWCAPOY
Search UniChem for chemical match using the InChIKey LERNTVKEWCAPOY-FPISHFTHSA-N
Search UniChem for chemicals with the same backbone LERNTVKEWCAPOY
Comments
The position of the tritiated hydrogen atom in this structure is not specified in the available literature therefore is not shown here.