Acebutolol (BioDeep_00000001879)

human metabolite blood metabolite Chemicals and Drugs Volatile Flavor Compounds

代谢物信息卡片

N-[3-Acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]butanamide

化学式: C18H28N2O4 (336.20489680000003)
中文名称: 醋丁洛尔
谱图信息: 最多检出来源 Viridiplantae(plant) 0.52%

分子结构信息

SMILES: CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C
InChI: InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)

描述信息

Acebutolol is only found in individuals that have used or taken this drug. It is a cardioselective beta-adrenergic antagonist with little effect on the bronchial receptors. The drug has stabilizing and quinidine-like effects on cardiac rhythm as well as weak inherent sympathomimetic action. [PubChem]Acebutolol is a selective β1-receptor antagonist. Activation of β1-receptors by epinephrine increases the heart rate and the blood pressure, and the heart consumes more oxygen. Acebutolol blocks these receptors, lowering the heart rate and blood pressure. This drug then has the reverse effect of epinephrine. In addition, beta blockers prevent the release of renin, which is a hormone produced by the kidneys which leads to constriction of blood vessels.
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective
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
D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
CONFIDENCE standard compound; INTERNAL_ID 2281

同义名列表

50 个代谢物同义名

数据库引用编号

32 个数据库交叉引用编号

ChEBI: CHEBI:2379
KEGG: C06803
KEGGdrug: D02338
PubChem: 1978
HMDB: HMDB0015324
Metlin: METLIN405
DrugBank: DB01193
ChEMBL: CHEMBL642
Wikipedia: Acebutolol
MeSH: Acebutolol
chemspider: 1901
CAS: 1189500-68-2
CAS: 68107-82-4
CAS: 37517-30-9
CAS: 28197-63-9
MoNA: AU228112
MoNA: AU228105
MoNA: AU228159
MoNA: AU228110
MoNA: AU228104
MoNA: AU228158
MoNA: AU228102
MoNA: AU228101
MoNA: AU228111
MoNA: AU228106
MoNA: AU228103
MoNA: AU228157
PMhub: MS000001376
PubChem: 9022
NIKKAJI: J252.821E
RefMet: Acebutolol
KNApSAcK: 2379

分类词条

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

9606 - Homo sapiens: -

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

E Bokri, H Felfel, S Bahri. Prediction of plasma concentrations using in silico modelling and simulation approach: Case of Acebutolol. Annales pharmaceutiques francaises. 2021 Sep; 79(5):530-538. doi: 10.1016/j.pharma.2021.02.004. [PMID: 33675740]
Chung-Yi Lee, Adhimoorthy Prasannan, Varghese Lincy, Subash Vetri Selvi, Shen Ming Chen, Po-Da Hong. Highly exfoliated functionalized MoS2 with sodium alginate-polydopamine conjugates for electrochemical sensing of cardio-selective β-blocker by voltammetric methods. Mikrochimica acta. 2021 03; 188(3):103. doi: 10.1007/s00604-021-04717-0. [PMID: 33646401]
Brendan Le Daré, Sophie Allard, Renaud Bouvet, Alain Baert, Pierre-Marie Allard, Isabelle Morel, Thomas Gicquel. A case of fatal acebutolol poisoning: an illustration of the potential of molecular networking. International journal of legal medicine. 2020 Jan; 134(1):251-256. doi: 10.1007/s00414-019-02062-9. [PMID: 30997571]
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