Labetalol (BioDeep_00000001485)
Secondary id: BioDeep_00000398790
human metabolite blood metabolite Chemicals and Drugs
代谢物信息卡片
化学式: C19H24N2O3 (328.17868339999995)
中文名称: 拉贝洛尔
谱图信息:
最多检出来源 Viridiplantae(plant) 1.31%
分子结构信息
SMILES: CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O
InChI: InChI=1S/C19H24N2O3/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)
描述信息
Labetalol is only found in individuals that have used or taken this drug. It is a blocker of both alpha- and beta-adrenergic receptors that is used as an antihypertensive (PubChem). Labetalol HCl combines both selective, competitive, alpha-1-adrenergic blocking and nonselective, competitive, beta-adrenergic blocking activity in a single substance. In man, the ratios of alpha- to beta- blockade have been estimated to be approximately 1:3 and 1:7 following oral and intravenous (IV) administration, respectively. The principal physiologic action of labetalol is to competitively block adrenergic stimulation of β-receptors within the myocardium (β1-receptors) and within bronchial and vascular smooth muscle (β2-receptors), and α1-receptors within vascular smooth muscle. This causes a decrease in systemic arterial blood pressure and systemic vascular resistance without a substantial reduction in resting heart rate, cardiac output, or stroke volume, apparently because of its combined α- and β-adrenergic blocking activity.
CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7134; ORIGINAL_PRECURSOR_SCAN_NO 7131
CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7100; ORIGINAL_PRECURSOR_SCAN_NO 7098
CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7094; ORIGINAL_PRECURSOR_SCAN_NO 7091
CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7132; ORIGINAL_PRECURSOR_SCAN_NO 7130
CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3398; ORIGINAL_PRECURSOR_SCAN_NO 3397
CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3392; ORIGINAL_PRECURSOR_SCAN_NO 3391
CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3400; ORIGINAL_PRECURSOR_SCAN_NO 3399
CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7150; ORIGINAL_PRECURSOR_SCAN_NO 7149
CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3395; ORIGINAL_PRECURSOR_SCAN_NO 3393
CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3466; ORIGINAL_PRECURSOR_SCAN_NO 3465
CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3405; ORIGINAL_PRECURSOR_SCAN_NO 3404
CONFIDENCE standard compound; INTERNAL_ID 220; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7142; ORIGINAL_PRECURSOR_SCAN_NO 7140
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AG - Alpha and beta blocking agents
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
CONFIDENCE standard compound; INTERNAL_ID 2757
CONFIDENCE standard compound; INTERNAL_ID 8188
Labetalol (AH5158) is an orally active selective α1- and non-selective β-adrenergic receptors competitive antagonist. Labetalol, an anti-hypertensive agent, can be used for the research of cardiovascular disease, such as hypertension in pregnancy[1][2][3].
同义名列表
35 个代谢物同义名
3-Carboxamido-4-hydroxy-alpha-((1-methyl-3-phenylpropylamino)methyl)benzyl alcohol; 3-Carboxamido-4-hydroxy-α-((1-methyl-3-phenylpropylamino)methyl)benzyl alcohol; 3-Carboxamido-4-hydroxy-a-((1-methyl-3-phenylpropylamino)methyl)benzyl alcohol; 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide; 5-(1-Hydroxy-2-(1-methyl-3-phenylpropylamino)ethyl)salicylamide; GlaxoSmithKline brand OF labetalol hydrochloride; glaxo Wellcome brand OF labetalol hydrochloride; Alphapharm brand OF labetalol hydrochloride; Celltech brand OF labetalol hydrochloride; Schering brand OF labetalol hydrochloride; Apotex brand OF labetalol hydrochloride; Leiras brand OF labetalol hydrochloride; Shire brand OF labetalol hydrochloride; Sigma brand OF labetalol hydrochloride; faro Brand OF labetalol hydrochloride; Kern brand OF labetalol hydrochloride; Hydrochloride, labetalol; Labetalol, (R,R)-isomer; Labetalol hydrochloride; apo-Labetalol; R,R-Labetalol; apo Labetalol; R,R Labetalol; ApoLabetalol; Labetalolum; Normodyne; labetalol; Labetolol; DILEVALOL; Kabetalol; Presolol; Trandate; Albetol; AH5158; Sch-15719W (free base)
数据库引用编号
40 个数据库交叉引用编号
- ChEBI: CHEBI:167638
- ChEBI: CHEBI:6343
- KEGG: C07063
- KEGG: C74903
- KEGGdrug: D08106
- PubChem: 3869
- HMDB: HMDB0014736
- Metlin: METLIN912
- DrugBank: DB00598
- ChEMBL: CHEMBL429
- Wikipedia: Labetalol
- MeSH: Labetalol
- chemspider: 3734
- CAS: 83167-24-2
- CAS: 36894-69-6
- CAS: 32780-40-8
- MoNA: LU022004
- MoNA: LU022002
- MoNA: AU275702
- MoNA: AU275704
- MoNA: LU022051
- MoNA: SM818851
- MoNA: AU275705
- MoNA: AU275706
- MoNA: LU022054
- MoNA: LU022052
- MoNA: LU022055
- MoNA: AU275703
- MoNA: LU022056
- MoNA: AU275701
- MoNA: LU022003
- MoNA: LU022053
- MoNA: LU022005
- MoNA: SM818801
- MoNA: LU022001
- MoNA: LU022006
- PMhub: MS000000625
- PubChem: 9275
- NIKKAJI: J19.703C
- medchemexpress: HY-121383
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
0 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(0)
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(0)
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
1 个相关的物种来源信息
在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有:
- PubMed: 来源于PubMed文献库中的文献信息,我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表,这个列表按照代谢物同时出现的文献数量降序排序,取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
- NCBI Taxonomy: 通过文献数据挖掘,得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序,取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
- Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
- Chemical Reaction: 在化学反应过程中,存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。
点击图上的相关代谢物的名称,可以跳转到相关代谢物的信息页面。
文献列表
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2024 Feb; 92(?):102437. doi:
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The American journal of emergency medicine.
2022 05; 55(?):224.e1-224.e4. doi:
10.1016/j.ajem.2021.11.049
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Obstetrical & gynecological survey.
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10.1097/ogx.0000000000000996
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Lancet (London, England).
2021 09; 398(10305):1074. doi:
10.1016/s0140-6736(21)01696-2
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Cell reports.
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Journal of cardiothoracic and vascular anesthesia.
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2020 05; 24(9):5062-5070. doi:
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BMC anesthesiology.
2020 04; 20(1):85. doi:
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. [PMID: 32303182] - Pradeep Singh Rawat, Punna Rao Ravi, Laxman Kaswan, Rajeev Singh Raghuvanshi. Development and validation of a bio-analytical method for simultaneous quantification of nebivolol and labetalol in aqueous humor and plasma using LC-MS/MS and its application to ocular pharmacokinetic studies.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2020 Jan; 1136(?):121908. doi:
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Molecular pharmacology.
2019 11; 96(5):629-640. doi:
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American journal of therapeutics.
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Pregnancy hypertension.
2019 Jul; 17(?):12-14. doi:
10.1016/j.preghy.2019.05.004
. [PMID: 31487627] - Michelle C Starr, Joseph T Flynn. Neonatal hypertension: cases, causes, and clinical approach.
Pediatric nephrology (Berlin, Germany).
2019 05; 34(5):787-799. doi:
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Advances in chronic kidney disease.
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The American journal of medicine.
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The journal of physical chemistry. B.
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2018 Nov; 27(11):3177-3186. doi:
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. [PMID: 30120036] - Pablo Zambrano, Mario Suwalsky, Malgorzata Jemiola-Rzeminska, Kazimierz Strzalka. α1-and β-adrenergic antagonist labetalol induces morphological changes in human erythrocytes.
Biochemical and biophysical research communications.
2018 09; 503(1):209-214. doi:
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Archives of gynecology and obstetrics.
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PloS one.
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