基本情報
- 標準SMILES
CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.Cl- InChIKey
WQVZLXWQESQGIF-UHFFFAOYSA-N- 分子式
- C19H25ClN2O3
- 平均分子量
- 364.9 g/mol
- 単同位体質量
- 364.15537034
概要
Labetalol hydrochloride is a member of salicylamides.
名称と識別子
- 優先名称
- Labetalol Hydrochloride
- IUPAC
- 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride
名称と別名
Labetalol hydrochloride32780-64-6Labetalol HCLLabrocolScH 15719WAH 5158AIbidomide hydrochlorideSch-15719WDTXSID00446541GEV3BAW9JAH-5158ANSC-290312
名称をさらに表示
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
データベース識別子
- 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
物性
構造計算による物性
- 極性表面積
- 95.6 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 4
- 回転可能結合数
- 8
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 385
実験および物理化学的性質
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]
安全と法規制
GHS分類
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.
危険有害性情報
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%)
毒性情報
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
化学と産業
薬理情報
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.
関連反応
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