Bamifylline hydrochlorideProduct ingredient for Bamifylline
- Name
- Bamifylline hydrochloride
- Drug Entry
- Bamifylline
Bamifylline is a selective A1 adenosine receptor antagonist.
- Accession Number
- DBSALT002675
- Structure
Structure for Bamifylline hydrochloride (DBSALT002675)
- Synonyms
- Bamifylline HCl
- External IDs
- 8102 CB / 8102-CB / AC 3810 / AC-3810 / BAX 2739Z / BAX-2739Z
- UNII
- 66466QLM3S
- CAS Number
- 20684-06-4
- Weight
- Average: 421.93
Monoisotopic: 421.1880675 - Chemical Formula
- C20H28ClN5O3
- InChI Key
- PDBXHPORMXSXKO-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H27N5O3.ClH/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2;/h5-9,26H,4,10-14H2,1-3H3;1H
- IUPAC Name
- 8-benzyl-7-{2-[ethyl(2-hydroxyethyl)amino]ethyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione hydrochloride
- SMILES
- Cl.CCN(CCO)CCN1C(CC2=CC=CC=C2)=NC2=C1C(=O)N(C)C(=O)N2C
- External Links
- ChemSpider
- 61823
- ChEMBL
- CHEMBL2105899
- Predicted Properties
Property Value Source Water Solubility 1.79 mg/mL ALOGPS logP 1.71 ALOGPS logP 1.1 Chemaxon logS -2.3 ALOGPS pKa (Strongest Acidic) 15.59 Chemaxon pKa (Strongest Basic) 8.7 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 81.91 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 108.05 m3·mol-1 Chemaxon Polarizability 42.46 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon