Labetalol

Description

Labetalol · CAS 36894-69-6 · C19H24N2O3. UNII R5H8897N95. Boiling Point: 552.7; Melting Point: 188; Melting Point: 195 - 196 °C.

Identification

CAS Registry Number	36894-69-6
PubChem CID	3869
Molecular formula	C19H24N2O3
IUPAC name	2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
UNII (FDA)	R5H8897N95

Computed Descriptors

Molecular Weight	328.4
XLogP3	3.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	328.17869263
Monoisotopic Mass	328.17869263
Topological Polar Surface Area	95.6
Heavy Atom Count	24
Formal Charge	0

Physical & Chemical Properties

Boiling Point	552.7
Melting Point	188
Melting Point	195 - 196 °C
Solubility	5.78e-03 g/L
LogP	2.7
LogP	1.89
Dissociation Constants	7.4
Dissociation Constants	9.3
Dissociation Constants	pKa = 9.3

Physical description & handling notes

• Solid
• 175.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044654]
• 175.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID0044654]
• 176.8 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044654]
• 175.22 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 176.41 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS Hazard Classification

Reported hazard statements	H315 (100%), H319 (100%), H335 (100%), H361 (100%), H411 (66.7%)

Documented Uses

• Consumption (g per capita) in the USA (2002): 0.00702
• Labetalol injections are indicated to control blood pressure in severe hypertension. Labetalol tablets are indicated alone or in combination with antihypertensives like thiazides and loop diuretics to manage hypertension.
• Due to their negative inotropic and chronotropic actions, beta-adrenergic receptor antagonists (e.g., carvedilol and metoprolol) are typically indicated in individuals with chronic cardiovascular disease (hypertension, coronary artery disease, congestive heart failure) with a significant reduction in mortality.
• Labetalol is an antihypertensive agent with both alpha- and beta-adrenergic receptor blocking activity. Labetalol has been linked to several cases of clinically apparent drug induced liver disease, some of which have been severe and even fatal.
• Breast Feeding; Lactation; Milk, Human; Antihypertensive Agents; Adrenergic Beta-Antagonists; Antiarrhythmics
• Beta-Adrenergic Receptor Antagonists

Synonyms

labetalol; 36894-69-6; Labetolol; Ibidomide; Albetol; Labetalolum; 2-Hydroxy-5-(1-hydroxy-2-((4-phenylbutan-2-yl)amino)ethyl)benzamide; AH 5158; 5-(1-Hydroxy-2-(1-methyl-3-phenylpropylamino)ethyl)salicylamide; 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide; 3-Carboxamido-4-hydroxy-alpha-((1-methyl-3-phenylpropylamino)methyl)benzyl alcohol; AH-5158A FREE BASE; CHEBI:6343; SCH-15719W FREE BASE; 2-Hydroxy-5-(1-hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)benzamide; R5H8897N95

Frequently Asked Questions

What are the CAS number and molecular formula of Labetalol?

CAS 36894-69-6; molecular formula C19H24N2O3; molecular weight — g/mol.

What other names is Labetalol known by?

labetalol, 36894-69-6, Labetolol, Ibidomide, Albetol, Labetalolum.

Is Labetalol classified as hazardous?

Hazard statements reported: H315, H319, H335, H361, H411.

What are the key physical properties of Labetalol?

Boiling Point: 552.7; Melting Point: 188; Melting Point: 195 - 196 °C; Solubility: 5.78e-03 g/L.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.