CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 552.7 |
| Melting Point | 188 °C |
| Solubility | 5.78e-03 g/L |
| LogP | 2.7 |
| Stability/Shelf Life | Labetalol hydrochloride tablets should be stored in well closed containers at 2-30 °C; tablets in unit dose packages should be protected from excessive moisture. Labetalol hydrochloride injection should be stored at 2-30 °C and protected from light and freezing. Labetalol hydrochloride tablets and injection have an expiration date of 3 and 2 years, respectively, after the date of manufacture. /Labetalol hydrochloride/ |
| Dissociation Constants | 7.4 |
| Collision Cross Section | 178.1 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Other Experimental Properties | White crystalline solid from ethanol-ethyl acetate; mp: 187-189 °C; sol in water, ethanol; insol in ether, chloroform. /Labetalol hydrochloride/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 328.4 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 328.17869263 g/mol |
| Monoisotopic Mass | 328.17869263 g/mol |
| Topological Polar Surface Area | 95.6 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 385 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Labetalol is a diastereoisomeric mixture of approximately equal amounts of all four possible stereoisomers ((R,S)-labetolol, (S,R)-labetolol, (S,S)-labetalol and (R,R)-labetalol). It is an adrenergic antagonist used to treat high blood pressure. It has a role as an antihypertensive agent, a sympatholytic agent, an alpha-adrenergic antagonist and a beta-adrenergic antagonist. It contains a (R,R)-labetalol, a (S,S)-labetalol, a (R,S)-labetolol and a (S,R)-labetolol.