Formoterol fumarateProduct ingredient forFormoterol
- Name
- Formoterol fumarate
- Drug Entry
-
Formoterol
Formoterol is an inhaled beta2-agonist used in the management of COPD and asthma that was first approved for use in the United States in 2001.10It acts on bronchial smooth muscle to dilate and relax airways, and is administered as a racemic mixture of its active (R;R)- and inactive (S;S)-enantiomers.2A major clinical advantage of formoterol over other inhaled beta-agonists is its rapid onset of action (2-3 minutes), which is at least as fast assalbutamol, combined with a long duration of action (12 hours) - for this reason, treatment guidelines for asthma recommend its use as both a reliever and maintenance medication.18It is available as a single-entity product10,16and in several formulations in combination with both inhaled corticosteroids13,15and long-acting muscarinic antagonists.12,11
- Accession Number
- DBSALT001371
- Structure
-
Structure for Formoterol fumarate (DBSALT001371)
- Synonyms
- Formoterol fumarate dihydrate/Formoterol fumarate hydrate
- External IDs
- BD-40A/CGP-25827A/YM-08316
- UNII
- W34SHF8J2K
- CAS Number
- 183814-30-4
- Weight
-
Average: 840.924
Monoisotopic: 840.379302499 - Chemical Formula
- C42H56N4O14
- InChI Key
- RATSWNOMCHFQGJ-AYJOUMQSSA-N
- InChI
-
InChI=1S/2C19H24N2O4.C4H4O4.2H2O/c2*1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;5-3(6)1-2-4(7)8;;/h2*3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2H,(H,5,6)(H,7,8);2*1H2/b;;2-1+;;/t2*13-,19+;;;/m11.../s1
- IUPAC Name
-
(2E)-but-2-enedioic acid bis(N-{2-hydroxy-5-[(1R)-1-hydroxy-2-{[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino}ethyl]phenyl}formamide) dihydrate
- SMILES
-
O.O.OC(=O)\C=C\C(O)=O.COC1=CC=C(C[C@@H](C)NC[C@H](O)C2=CC=C(O)C(NC=O)=C2)C=C1.COC1=CC=C(C[C@@H](C)NC[C@H](O)C2=CC=C(O)C(NC=O)=C2)C=C1
- External Links
-
- ChemSpider
- 23089507
- Wikipedia
- Formoterol
- Predicted Properties
-
Property Value Source Water Solubility 0.0416 mg/mL ALOGPS logP 1.91 ALOGPS logP 1.06 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 8.61 Chemaxon pKa (Strongest Basic) 9.81 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 90.82 Å2 Chemaxon Rotatable Bond Count 18 Chemaxon Refractivity 97.87 m3·mol-1 Chemaxon Polarizability 37.8 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规则 Yes Chemaxon
