Bufuralol hydrochlorideProduct ingredient for Bufuralol
- Name
- Bufuralol hydrochloride
- Drug Entry
- Bufuralol
Bufuralol is a new, non-selective -adrenoceptor blocking agent.
- Accession Number
- DBSALT002370
- Structure
Structure for Bufuralol hydrochloride (DBSALT002370)
- Synonyms
- Bufuralol HCl
- UNII
- G66IY7Q7S4
- CAS Number
- 60398-91-6
- Weight
- Average: 297.82
Monoisotopic: 297.1495567 - Chemical Formula
- C16H24ClNO2
- InChI Key
- KJBONRGCLLBWCJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H23NO2.ClH/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4;/h6-9,13,17-18H,5,10H2,1-4H3;1H
- IUPAC Name
- 2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethan-1-ol hydrochloride
- SMILES
- Cl.CCC1=C2OC(=CC2=CC=C1)C(O)CNC(C)(C)C
- External Links
- ChemSpider
- 133589
- Predicted Properties
Property Value Source Water Solubility 0.0356 mg/mL ALOGPS logP 3.24 ALOGPS logP 2.99 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 13.06 Chemaxon pKa (Strongest Basic) 9.24 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 45.4 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 77.43 m3·mol-1 Chemaxon Polarizability 30.95 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon