Salmeterol xinafoateProduct ingredient for Salmeterol
- Name
- Salmeterol xinafoate
- Drug Entry
- Salmeterol
Salmeterol is a long-acting beta-2 adrenergic receptor agonist drug that is currently prescribed for the treatment of asthma and chronic obstructive pulmonary disease COPD.8,9,10,11,12 It has a longer duration of action than the short-acting beta-2 adrenergic receptor agonist, salbutamol.5 Salmeterol was first described in the literature in 1988.6 Salmeterol's structure is similar to salbutamol's with an aralkyloxy-alkyl substitution on the amine.1
Salmeterol was granted FDA approval on 4 February 1994.7
- Accession Number
- DBSALT001372
- Structure
Structure for Salmeterol xinafoate (DBSALT001372)
- Synonyms
- salmeterol 1-hydroxy-2-naphthoate
- External IDs
- GR 33343 G / GR-33343 G / GR-33343X
- UNII
- 6EW8Q962A5
- CAS Number
- 94749-08-3
- Weight
- Average: 603.756
Monoisotopic: 603.319602793 - Chemical Formula
- C36H45NO7
- InChI Key
- XTZNCVSCVHTPAI-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H37NO4.C11H8O3/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;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2;1-6,12H,(H,13,14)
- IUPAC Name
- 1-hydroxynaphthalene-2-carboxylic acid; 4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)-2-(hydroxymethyl)phenol
- SMILES
- OC(=O)C1=C(O)C2=CC=CC=C2C=C1.OCC1=C(O)C=CC(=C1)C(O)CNCCCCCCOCCCCC1=CC=CC=C1
- External Links
- ChemSpider
- 51216
- ChEBI
- 9012
- ChEMBL
- CHEMBL1082607
- Wikipedia
- Salmeterol
- Predicted Properties
Property Value Source Water Solubility 0.00226 mg/mL ALOGPS logP 3.82 ALOGPS logP 3.61 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 10.12 Chemaxon pKa (Strongest Basic) 9.4 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 81.95 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 122.39 m3·mol-1 Chemaxon Polarizability 49.49 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon