salmeterol   Click here for help

GtoPdb Ligand ID: 559

Synonyms: GR 33343X | Serevent®
Approved drug Immunopharmacology Ligand
salmeterol is an approved drug (FDA (1994), EMA (2016))
Compound class: Synthetic organic
Comment: Marketed formulations may contain salmeterol xinafoate (PubChem CID 56801).
Click here for help
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: salmeterol

2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 16
Topological polar surface area 81.95
Molecular weight 415.27
XLogP 4.18
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O
Isomeric SMILES OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O
InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1994), EMA (2016))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5578 salmeterol
Synonyms Click here for help
GR 33343X | Serevent®
Database Links Click here for help
Specialist databases
GPCRdb Ligand salmeterol
Other databases
BindingDB Ligand 25771
CAS Registry No. 89365-50-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1263
DrugBank Ligand DB00938
DrugCentral Ligand 2419
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
UniChem Compound Search for chemical match using the InChIKey GIIZNNXWQWCKIB-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey GIIZNNXWQWCKIB-UHFFFAOYSA-N
Wikipedia Salmeterol