Tox21_303565 (BioDeep_00000395734)

 

Secondary id: BioDeep_00000399078

PANOMIX_OTCML-2023


代谢物信息卡片


Quinine hydrochloride; (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl](6-methoxyquinolin-4-yl)methanol hydrochloride; Quinidine Sulfate Impurity A as Hydrochloride Dihydrate; Quinidine Impurity A as Hydrochloride Dihydrate

化学式: C20H29ClN2O4 (396.18157440000004)
中文名称: 奎宁盐酸盐二水合物, 奎宁单盐酸盐二水合物
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 2.41%

分子结构信息

SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.Cl
InChI: 1H

描述信息

Quinine hydrochloride dihydrate (Qualaquin) is an orally active and can be used in anti-malarial studies. Quinine hydrochloride dihydrate is a potassium channel inhibitor that inhibits WT mouse Slo3 (KCa5.1) channel currents evoked by voltage pulses to +100?mV with an IC50 of 169 μM[1][2].

同义名列表

39 个代谢物同义名

Quinine hydrochloride; (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl](6-methoxyquinolin-4-yl)methanol hydrochloride; Quinidine Sulfate Impurity A as Hydrochloride Dihydrate; Quinidine Impurity A as Hydrochloride Dihydrate; (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride; (R)-(5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride; (R)-(6-Methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol hydrochloride dihydrate; (R)-(6-Methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methanolhydrochloridedihydrate; (R)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol hydrochloride dihydrate; Quinine hydrochloride dihydrate, BioReagent, suitable for fluorescence, >=98.0\\% (NT); Quinine hydrochloride dihydrate, United States Pharmacopeia (USP) Reference Standard; Quinine monohydrochloride dihydrate, Vetec(TM) reagent grade, 88\\%; Cinchonan-9-ol, 6-methoxy-, monohydrochloride, dihydrate, (8a,9R)-; (8.ALPHA.,9R)-6-METHOXYCINCHONAN-9-OL HYDROCHLORIDE DIHYDRATE; Quinine hydrochloride dihydrate, tested according to Ph.Eur.; Quinine hydrochloride dihydrate, analytical standard; Quinine monohydrochloride dihydrate, >=95\\%, FG; Quinine monohydrochloride dihydrate, 90\\%; QUININE HYDROCHLORIDE DIHYDRATE [WHO-DD]; QUININE HYDROCHLORIDE DIHYDRATE [USP-RS]; Quinine.HCl.dihydrate, 1mg/ml in Ethanol; QUININE HYDROCHLORIDE DIHYDRATE [MART.]; QUININI HYDROCHLORIDUM [WHO-IP LATIN]; QUININE HYDROCHLORIDE DIHYDRATE [MI]; QUININE HYDROCHLORIDE [EP MONOGRAPH]; (-)-Quinine hydrochloride dihydrate; Quinine monohydrochloride dihydrate; QUININE HYDROCHLORIDE HYDRATE [JAN]; QUININE MONOHYDROCHLORIDE DIHYRATE; Quinine (hydrochloride dihydrate); Quinine, hydrochloride dihydrate; Quinine hydrochloride dihydrate; QUININE HYDROCHLORIDE [WHO-IP]; Quinine hydrochloride [JAN:NF]; QUININE HYDROCHLORIDE [MART.]; Quinine hydrochloride hydrate; QUININE HYDROCHLORIDE [FCC]; CHININUM MURIATICUM [HPUS]; Quinine HCl Dihydrate; Quinine.HCl.dihydrate; Chininum muriaticum; Tox21_303565



数据库引用编号

4 个数据库交叉引用编号

分类词条

相关代谢途径

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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。



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