Isoetharine mesylateProduct ingredient for Isoetharine
- Name
- Isoetharine mesylate
- Drug Entry
- Isoetharine
Isoetharine is a relatively selective beta-2 adrenergic agonist. It is a catechol-like agent. Isoetharine is a fast-acting bronchodilator used for emphysema, bronchitis and asthma.1
- Accession Number
- DBSALT000886
- Structure
Structure for Isoetharine mesylate (DBSALT000886)
- Synonyms
- Isoetarine mesilate / Isoetharine mesilate
- UNII
- DV74WJ5PJB
- CAS Number
- 7279-75-6
- Weight
- Average: 335.42
Monoisotopic: 335.140258703 - Chemical Formula
- C14H25NO6S
- InChI Key
- SOYAGMVKMXZVNZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H21NO3.CH4O3S/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9;1-5(2,3)4/h5-8,10,13-17H,4H2,1-3H3;1H3,(H,2,3,4)
- IUPAC Name
- 4-{1-hydroxy-2-[(propan-2-yl)amino]butyl}benzene-1,2-diol; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CCC(NC(C)C)C(O)C1=CC(O)=C(O)C=C1
- External Links
- PubChem Compound
- 23702
- ChemSpider
- 22163
- ChEBI
- 775104
- ChEMBL
- CHEMBL1201153
- Wikipedia
- Isoetarine
- Predicted Properties
Property Value Source Water Solubility 3.18 mg/mL ALOGPS logP 0.63 ALOGPS logP 1.05 Chemaxon logS -1.9 ALOGPS pKa (Strongest Acidic) 10.01 Chemaxon pKa (Strongest Basic) 9.01 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 72.72 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 67.34 m3·mol-1 Chemaxon Polarizability 26.52 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon