Celiprolol hydrochlorideProduct ingredient for Celiprolol
- Name
- Celiprolol hydrochloride
- Drug Entry
- Celiprolol
Celiprolol is indicated for the management of mild to moderate hypertension and effort-induced angina pectoris. It is simultaneously a selective β1 receptor antagonist, a β2 receptor partial agonist and a weak α2 receptor antagonist. In 2010 a clinical trial has suggested a use for this medication in the prevention of vascular complications of a rare inherited disease called vascular Ehlers–Danlos syndrome. This study demonstrated decreased incidence of arterial rupture or dissection (a specific type of arterial rupture in which the layers of the vessel separate prior to complete failure of the artery wall). Celiprolol is not approved for use by the FDA in the treatment of vascular Ehlers–Danlos syndrome.
- Accession Number
- DBSALT002890
- Structure
- Synonyms
- Celiprolol HCl / Celiprolol hydrochloride
- UNII
- G1M3398594
- CAS Number
- 57470-78-7
- Weight
- Average: 415.96
Monoisotopic: 415.2237843 - Chemical Formula
- C20H34ClN3O4
- InChI Key
- VKJHTUVLJYWAEY-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H33N3O4.ClH/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6;/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26);1H
- IUPAC Name
- 1-{3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}-3,3-diethylurea hydrochloride
- SMILES
- Cl.CCN(CC)C(=O)NC1=CC=C(OCC(O)CNC(C)(C)C)C(=C1)C(C)=O
- External Links
- ChemSpider
- 38645
- ChEBI
- 31385
- ChEMBL
- CHEMBL1742424
- Predicted Properties
Property Value Source Water Solubility 0.174 mg/mL ALOGPS logP 2.29 ALOGPS logP 1.5 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 13.55 Chemaxon pKa (Strongest Basic) 9.75 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 90.9 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 108.25 m3·mol-1 Chemaxon Polarizability 43.18 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