aclidinium

Ligand id: 7449

Name: aclidinium

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 112.24
Molecular weight 484.16
XLogP 5.13
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2012))
IUPAC Name
[(8R)-1-[3-(phenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-8-yl] 2-hydroxy-2,2-di(thiophen-2-yl)acetate
International Nonproprietary Names
INN number INN
8544 aclidinium bromide
Synonyms
LAS W-330 | LAS-34273 | Tudorza Pressair®
Database Links
CAS Registry No. 727649-81-2
ChEBI CHEBI:65346
ChEMBL Ligand CHEMBL1194325
DrugBank Ligand DB08897
GtoPdb PubChem SID 178104021
PubChem CID 11434515
Search Google for chemical match using the InChIKey ASMXXROZKSBQIH-VITNCHFBSA-N
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Search PubMed clinical trials aclidinium bromide
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Search UniChem for chemical match using the InChIKey ASMXXROZKSBQIH-VITNCHFBSA-N
Search UniChem for chemicals with the same backbone ASMXXROZKSBQIH
Wikipedia Aclidinium bromide
Comments
Note that the approved drug is the bromide salt (PubChem CID 11434515).