Nebivolol hydrochlorideProduct ingredient for Nebivolol
- Name
- Nebivolol hydrochloride
- Drug Entry
- Nebivolol
Nebivolol is a racemic mixture of 2 enantiomers where one is a beta adrenergic antagonist and the other acts as a cardiac stimulant without beta adrenergic activity.2 Treatment with nebivolol leads to a greater decrease in systolic and diastolic blood pressure than atenolol, propranolol, or pindolol.2 Nebivolol and other beta blockers are generally not first line therapies as many patients are first treated with thiazide diuretics.8
Nebivolol was granted FDA approval on 17 December 2007.9
- Accession Number
- DBSALT001027
- Structure
- Synonyms
- Nebivolol HCl
- UNII
- JGS34J7L9I
- CAS Number
- 152520-56-4
- Weight
- Average: 441.9
Monoisotopic: 441.1518423 - Chemical Formula
- C22H26ClF2NO4
- InChI Key
- JWEXHQAEWHKGCW-VCVZPGOSSA-N
- InChI
- InChI=1S/C22H25F2NO4.ClH/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22;/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2;1H/t17-,18-,21-,22+;/m1./s1
- IUPAC Name
- (1R)-1-[(2R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-{[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl]amino}ethan-1-ol hydrochloride
- SMILES
- Cl.O[C@H](CNC[C@@H](O)[C@H]1CCC2=C(O1)C=CC(F)=C2)[C@@H]1CCC2=CC(F)=CC=C2O1
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.0403 mg/mL ALOGPS logP 2.44 ALOGPS logP 3.21 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 13.52 Chemaxon pKa (Strongest Basic) 8.9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 70.95 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 103.32 m3·mol-1 Chemaxon Polarizability 41.61 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon