salmeterol

Ligand id: 559

Name: salmeterol

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 16
Topological polar surface area 81.95
Molecular weight 415.27
XLogP 5.94
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1994, as salmeterol xinafoate))
IUPAC Name
2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol
International Nonproprietary Names
INN number INN
5578 salmeterol
Synonyms
GR 33343X | Serevent®
Database Links
BindingDB Ligand 25771
CAS Registry No. 89365-50-4 (source: Scifinder)
ChEBI CHEBI:9011
ChEMBL Ligand CHEMBL1263
DrugBank Ligand DB00938
GtoPdb PubChem SID 135650978
PubChem CID 5152
Search Google for chemical match using the InChIKey GIIZNNXWQWCKIB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GIIZNNXWQWCKIB
Search PubMed clinical trials salmeterol
Search PubMed titles salmeterol
Search PubMed titles/abstracts salmeterol
Search UniChem for chemical match using the InChIKey GIIZNNXWQWCKIB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GIIZNNXWQWCKIB
Wikipedia Salmeterol
Comments
Marketed formulations may contain salmeterol xinafoate (PubChem CID 56801).