Labetalol hydrochlorideProduct ingredient for Labetalol
- Name
- Labetalol hydrochloride
- Drug Entry
- Labetalol
Labetalol is a racemic mixture of 2 diastereoisomers where dilevalol, the R,R' stereoisomer, makes up 25% of the mixture.8 Labetalol is formulated as an injection or tablets to treat hypertension.7,8
Labetalol was granted FDA approval on 1 August 1984.6
- Accession Number
- DBSALT000320
- Structure
Structure for Labetalol hydrochloride (DBSALT000320)
- Synonyms
- Labetalol HCl
- UNII
- 1GEV3BAW9J
- CAS Number
- 32780-64-6
- Weight
- Average: 364.866
Monoisotopic: 364.155370383 - Chemical Formula
- C19H25ClN2O3
- InChI Key
- WQVZLXWQESQGIF-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H24N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24);1H
- IUPAC Name
- 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzene-1-carboximidic acid hydrochloride
- SMILES
- Cl.CC(CCC1=CC=CC=C1)NCC(O)C1=CC(C(O)=N)=C(O)C=C1
- External Links
- PubChem Compound
- 71412
- ChemSpider
- 64502
- ChEBI
- 6344
- ChEMBL
- CHEMBL1200323
- Wikipedia
- Labetalol
- Predicted Properties
Property Value Source Water Solubility 0.0469 mg/mL ALOGPS logP 1.83 ALOGPS logP 1.99 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 7.69 Chemaxon pKa (Strongest Basic) 10.12 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 96.57 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 105.65 m3·mol-1 Chemaxon Polarizability 36.29 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