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Basic information
- CAS
32780-64-6- Standard SMILES
CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.Cl- InChIKey
WQVZLXWQESQGIF-UHFFFAOYSA-N- Molecular formula
- C19H25ClN2O3
- Average molar mass
- 364.9 g/mol
- Monoisotopic mass
- 364.15537034
Overview
Labetalol hydrochloride is a member of salicylamides.
Names & identifiers
- Preferred name
- Labetalol Hydrochloride
- IUPAC
- 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride
Names & synonyms
Labetalol hydrochloride32780-64-6Labetalol HCLLabrocolScH 15719WAH 5158AIbidomide hydrochlorideSch-15719WDTXSID00446541GEV3BAW9JAH-5158ANSC-290312
Show more names
AH-5158A HYDROCHLORIDESCH-15719W HYDROCHLORIDEDTXCID8024654NSC2903125-(1-Hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)salicylamide monohydrochlorideBenzamide, 2-hydroxy-5-(1-hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)-, monohydrochloride5-[1-Hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]salicylamide monohydrochlorideLabetalol Hydrocloride
Database identifiers
- CAS
32780-64-6、72487-34-4- PubChem CID
- 71412
- DTXSID
DTXSID0044654- ChEMBL
CHEMBL1200323- ChEBI
CHEBI:6344- UNII
- 1GEV3BAW9J
- EC Number
- 251-211-1、276-694-6
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 385
Experimental & physicochemical properties
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antihypertensive Agents; Adrenergic Beta-Antagonists; Antiarrhythmics
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section177.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 3.4% (2 of 59) of reports.
Warning
H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 59 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationLabetalol hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzamide, 2-hydroxy-5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]-, monohydrochloride: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (93.2%)
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Labetalol hydrochloride
vMost-DILI-concern
8
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
LABETALOL HCL
Adrenergic beta-Antagonists [MoA]; beta-Adrenergic Blocker [EPC]
LABETALOL HYDROCHLORIDE
Adrenergic beta-Antagonists [MoA]; beta-Adrenergic Blocker [EPC]
MeSH Pharmacological Classification
Drugs that bind to but do not activate beta-adrenergic receptors thereby blocking the actions of beta-adrenergic agonists. Adrenergic beta-antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches, and anxiety.
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
Drugs that bind to and block the activation of ADRENERGIC ALPHA-1 RECEPTORS.
Related reactions
1 records
Compound notes
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