Bambuterol hydrochlorideProduct ingredient for Bambuterol
- Name
- Bambuterol hydrochloride
- Drug Entry
- Bambuterol
Bambuterol is a long acting beta-adrenoceptor agonist used in the treatment of asthma. It is a prodrug of terbutaline.
- Accession Number
- DBSALT000797
- Structure
Structure for Bambuterol hydrochloride (DBSALT000797)
- Synonyms
- Bambuterol HCl
- UNII
- 786Q84QZ3F
- CAS Number
- 81732-46-9
- Weight
- Average: 403.901
Monoisotopic: 403.187398792 - Chemical Formula
- C18H30ClN3O5
- InChI Key
- LBARATORRVNNQM-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H
- IUPAC Name
- 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(dimethylcarbamoyl)oxy]phenyl N,N-dimethylcarbamate hydrochloride
- SMILES
- Cl.CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C
- External Links
- KEGG Drug
- D07489
- PubChem Compound
- 54765
- ChemSpider
- 49465
- ChEBI
- 59167
- ChEMBL
- CHEMBL1603534
- Predicted Properties
Property Value Source Water Solubility 0.469 mg/mL ALOGPS logP 1.69 ALOGPS logP 1.4 Chemaxon logS -2.9 ALOGPS pKa (Strongest Acidic) 13.91 Chemaxon pKa (Strongest Basic) 9.52 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 91.34 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 98.28 m3·mol-1 Chemaxon Polarizability 39.99 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