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Potassium;(2,2-dioxo-1,3,2,4-dioxathialumetan-4-yl) sulfate

中文名称
——
中文别名
——
英文名称
Potassium;(2,2-dioxo-1,3,2,4-dioxathialumetan-4-yl) sulfate
英文别名
——
Potassium;(2,2-dioxo-1,3,2,4-dioxathialumetan-4-yl) sulfate化学式
CAS
——
化学式
AlKO8S2
mdl
——
分子量
258.21
InChiKey
GRLPQNLYRHEGIJ-UHFFFAOYSA-J
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    -6.05
  • 重原子数:
    12
  • 可旋转键数:
    0
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    177
  • 氢给体数:
    0
  • 氢受体数:
    8

ADMET

代谢
明矾不经过代谢途径。摄入或吸收后,它会迅速溶解并形成离子,这些离子随后会生成其他盐类衍生物。
Potassium alum does not go through a metabolic pathway. When ingested or absorbed, it will get rapidly dissolved and it will form ions that will later generate other salt derivatives.
来源:DrugBank
代谢
铝通过口服或吸入暴露后吸收不良,并且基本上不通过皮肤吸收。铝的生物利用度受到铝化合物的影响,以及饮食成分的存在,这些成分可以与铝形成络合物,增强或抑制其吸收。铝在血液中与各种配体结合,并分布到每个器官,其中在骨骼和肺组织中浓度最高。在生物体中,铝被认为存在四种不同形式:作为自由离子,作为低分子量络合物,作为物理结合的大分子络合物,以及作为共价结合的大分子络合物。吸收的铝主要通过尿液排出,其次是通过胆汁,而未吸收的铝则通过粪便排出。(L739)
Aluminum is poorly absorbed following either oral or inhalation exposure and is essentially not absorbed dermally. The bioavailability of aluminum is strongly influenced by the aluminum compound and the presence of dietary constituents which can complex with aluminum and enhance or inhibit its absorption. Aluminum binds to various ligands in the blood and distributes to every organ, with highest concentrations found in bone and lung tissues. In living organisms, aluminum is believed to exist in four different forms: as free ions, as low-molecular-weight complexes, as physically bound macromolecular complexes, and as covalently bound macromolecular complexes. Absorbed aluminum is excreted principally in the urine and, to a lesser extent, in the bile, while unabsorbed aluminum is excreted in the faeces. (L739)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 毒性总结
铝的主要靶器官是中枢神经系统和骨骼。铝与饮食中的磷结合,并影响胃肠道对磷的吸收。体内磷负荷的减少会导致骨软化(由于骨骼矿化缺陷导致的骨质疏松)和佝偻病。铝的神经毒性被认为涉及多种机制。细胞骨架蛋白功能的变化,如磷酸化、蛋白水解、运输和合成的改变,被认为是其中一个原因。铝可能通过影响血脑屏障的通透性、胆碱能活性、信号转导途径、脂质过氧化以及损害神经元的谷氨酸一氧化氮-环磷酸鸟苷酸途径,以及由于类似的配位化学性质和随后的竞争性相互作用,干扰必需微量元素的代谢,从而诱导神经行为效应。有研究表明,铝与雌激素受体的相互作用增加了雌激素相关基因的表达,从而促进了乳腺癌的进展(A235),但研究尚未能明确建立铝与乳腺癌风险增加之间的联系(A15468)。某些铝盐通过激活炎症小体来引发免疫反应。(L739, A235, A236)
The main target organs of aluminum are the central nervous system and bone. Aluminum binds with dietary phosphorus and impairs gastrointestinal absorption of phosphorus. The decreased phosphate body burden results in osteomalacia (softening of the bones due to defective bone mineralization) and rickets. Aluminum's neurotoxicity is believed to involve several mechanisms. Changes in cytoskeletal protein functions as a results of altered phosphorylation, proteolysis, transport, and synthesis are believed to be one cause. Aluminum may induce neurobehavioral effects by affecting permeability of the blood-brain barrier, cholinergic activity, signal transduction pathways, lipid peroxidation, and impair neuronal glutamate nitric oxide-cyclic GMP pathway, as well as interfere with metabolism of essential trace elements because of similar coordination chemistries and consequent competitive interactions. It has been suggested that aluminum's interaction with estrogen receptors increases the expression of estrogen-related genes and thereby contributes to the progression of breast cancer (A235), but studies have not been able to establish a clear link between aluminum and increased risk of breast cancer (A15468). Certain aluminum salts induce immune responses by activating inflammasomes. (L739, A235, A236)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 致癌性证据
A4:无法归类为人类致癌物。/铝金属和难溶化合物/
A4: Not classifiable as a human carcinogen. /Aluminum metal and insoluble compounds/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 致癌物分类
未列入国际癌症研究机构(IARC)名录。国际癌症研究机构将铝生产归类为对人类致癌(第1组),但并未将铝本身视为人类致癌物。(L135)有人提出铝制止汗剂的使用与乳腺癌风险增加之间存在关联(A235),但研究并未能确立明确的联系(A15468)。
Not listed by IARC. IARC classified aluminum production as carcinogenic to humans (Group 1), but did not implicate aluminum itself as a human carcinogen. (L135) A link between use of aluminum-containing antiperspirants and increased risk of breast cancer has been proposed (A235), but studies have not been able to establish a clear link (A15468).
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 健康影响
铝针对神经系统,导致神经系统性能下降,并与血脑屏障功能改变有关。体内铝的积累可能导致骨骼或脑部疾病。高水平的铝与阿尔茨海默病有关。少数人对铝过敏,在接触或摄入含有铝的产品时,会经历接触性皮炎、消化紊乱、呕吐或其他症状。
Aluminum targets the nervous system and causes decreased nervous system performance and is associated with altered function of the blood-brain barrier. The accumulation of aluminum in the body may cause bone or brain diseases. High levels of aluminum have been linked to Alzheimer's disease. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (L739, L740)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 暴露途径
口服(L739);吸入(L739)
Oral (L739) ; inhalation (L739)
来源:Toxin and Toxin Target Database (T3DB)
吸收、分配和排泄
  • 吸收
十二水合硫酸铝钾形式存在,可以形成非常大的分子。这种大分子无法通过皮肤吸收,因此当它作为收敛剂包含在局部OTC(非处方药)中时。如果被摄入,铝盐会在胃中迅速溶解,然后它们可以生成氢氧化铝或吸收不良的碱性铝盐。
Potassium alum is found in its dodecahydrate form that produces a very large molecule. This large molecule cannot be absorbed through the skin when this substance is included as an astringent agent in topical OTC. If ingested, the aluminum salts are rapidly solubilized in the stomach and then they can generate aluminum hydroxide or poorly absorbed basic aluminum salts.
来源:DrugBank
吸收、分配和排泄
  • 消除途径
当明矾被吸收后,肾脏负责消除大部分吸收的剂量。从排泄物中,0.1-0.3%的吸收剂量通过尿液排出。
When potassium alum is absorbed, the kidney is responsible for the elimination of the major portion of the absorbed dose. From the excretion, 0.1-0.3% of the absorbed dose is eliminated via the urine.
来源:DrugBank
吸收、分配和排泄
  • 分布容积
铝盐在体内的分布受甲状旁腺激素浓度增加的影响。在临床前研究中表明,口服铝盐会在肾脏、肌肉、骨骼和灰质中形成沉积物,产生一种分布特征。
The distribution of aluminum salts in the body is influenced by increased concentrations of parathyroid hormone. It was shown, in preclinical studies, that oral administration of aluminum salts produces a distribution profile that forms deposits in kidneys, muscle, bone and gray matter.
来源:DrugBank
吸收、分配和排泄
  • 清除
铝的肾清除率大约是尿素或肌酐排泄的5-10%。铝化合物清除率降低是由于其与蛋白质的高结合。
Renal clearance of aluminum is approximately 5-10% of the excretion of urea or creatinine. The reduced clearance of aluminum compounds is due to the high protein binding.
来源:DrugBank
吸收、分配和排泄
铝盐从小量从消化道吸收。/铝盐/
ALUMINUM SALTS ARE ABSORBED IN ... SMALL AMT FROM THE DIGESTIVE TRACT. /ALUMINUM SALTS/
来源:Hazardous Substances Data Bank (HSDB)

反应信息

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文献信息

  • Method for manufacturing an active component of surfactant, surfactant and a method for using the surfactant
    申请人:Kim Kyu In
    公开号:US20050032663A1
    公开(公告)日:2005-02-10
    A novel colloid active component, a method for manufacturing colloid aluminum silica gel, and a surfactant containing the same are disclosed, wherein the method includes the steps of: (a) dissolving a mixture of aluminum oxide, silicic acid, potassium, iron oxide, sulfuric acid and water into sulfuric acid; (b) adding potassium sulfate solution into the solution, and stirring at a low temperature to produce compositions with soluble aluminum double salt; (c) purifying the compositions to obtain a very pure and dense aluminum potassium sulfate; (d) adding aluminum silicate and water to produce alkali metal polysilicate-sulfate water salt chelate; (e) polymerizing and precipitating the resultant; (f) adding Mgo, Fe 2 O 3 , Ca(OH) 2 , NaOH, KOH, and distilled water; (g) purifying and drying the chelate; (h) mixing the resulting microsphere, with sulfuric acid; (i) further treating the mixture and performing vapor treatment to obtain aluminum silicate molecular sieve; and, (j) polymerizing the aluminum silicate molecular sieves to a highly dense heel.
    本发明揭示了一种新的胶体活性成分、制造胶体氧化铝硅胶的方法以及含有该成分的表面活性剂,其中该方法包括以下步骤:(a)将氧化铝、硅酸、钾、氧化铁、硫酸和水的混合物溶解在硫酸中;(b)向溶液中加入硫酸钾溶液,并在低温下搅拌,产生可溶性铝双盐的组合物;(c)纯化组合物,得到非常纯净和致密的铝钾硫酸盐;(d)加入硅酸铝和水,产生碱金属多硅酸盐硫酸盐水盐螯合物;(e)聚合和沉淀所得物;(f)加入Mgo、Fe2O3、Ca(OH)2、NaOH、KOH和蒸馏水;(g)纯化和干燥螯合物;(h)将所得的微球与硫酸混合;(i)进一步处理混合物并进行蒸汽处理,得到铝硅酸盐分子筛;(j)将铝硅酸盐分子筛聚合成高密度的鞋底。
  • Method for producing aqueous solutions of basic poly aluminum sulphate
    申请人:Handy Chemicals Ltd.
    公开号:US04877597A1
    公开(公告)日:1989-10-31
    The present invention relates to a process for the preparation of a poly aluminum sulphate product having the following formula: [Al.sub.A (OH).sub.B (SO.sub.4).sub.C (H.sub.2 O).sub.E ].sub.n in which n is a positive integer; A is 1.0; B ranges from 0.75-2.0; C ranges from 0.5-1.12; and E is 1.5 to 4 when the product is in solid form; and E is larger than 4 when the product is in aqueous form, and wherein B+2C=3, said process comprising reacting an Alum solution with a suitable alkali aluminate under high shear mixing and recovering the desired product.
    本发明涉及一种制备聚合硫酸铝产品的方法,该产品具有以下化学式:[Al.sub.A (OH).sub.B (SO.sub.4).sub.C (H.sub.2 O).sub.E ].sub.n,其中n是正整数;A为1.0;B范围为0.75-2.0;C范围为0.5-1.12;当产品为固体形式时,E为1.5至4;当产品为水溶液形式时,E大于4,且B+2C=3。该方法包括通过高剪切混合反应硫酸铝溶液和适当的铝酸盐碱溶液,并回收所需的产品。
  • Solid aluminum hydroxide compositions
    申请人:General Chemical Corporation
    公开号:US04882140A1
    公开(公告)日:1989-11-21
    Solid aluminum hydroxide compositions having improved solubility, stability and filterability are formed by adding at least a stoichiometric amount of a solid base to a concentrated solution of an aluminum salt (about 8.3% Al.sub.2 O.sub.3 or higher) and stirring vigorously. The base used has an alkali metal, alkali earth metal, or other metallic cation, and does not contribute an anion other than hydroxide to the solution. Particularly suitable bases are carbonate and bicarbonate.
    通过向浓缩的铝盐溶液(约8.3% Al.sub.2 O.sub.3或更高)中加入至少化学计量量的固体碱,并强烈搅拌,形成具有改善的溶解性,稳定性和过滤性的固体氢氧化铝组合物。所使用的碱具有碱金属,碱土金属或其他金属阳离子,并不向溶液中贡献除氢氧化物以外的阴离子。特别适用的碱是碳酸盐和碳酸氢盐。
  • Cost effective dental compositions containing novel sodium
    申请人:J.M. Huber Corporation
    公开号:US05747008A1
    公开(公告)日:1998-05-05
    Dental compositions comprise an abrasive, a humectant material, water and a binder. The abrasive comprises sodium aluminosilicate product having a water demand of greater than 50 g water per 100 g product, and the dental compositions comprise a water to abrasive weight ratio greater than 1.
    牙科组合物包括磨料、保湿剂材料、水和粘合剂。磨料包括具有大于50克水需求的钠铝硅酸盐产品,而牙科组合物包括水对磨料重量比大于1。
  • Method for manufacturing colloid aluminum silica gels
    申请人:Kim In Kyu
    公开号:US06958362B2
    公开(公告)日:2005-10-25
    A novel colloid active component, a method for manufacturing colloid aluminum silica gel, and a surfactant containing the same are disclosed, wherein the method includes the steps of: (a) dissolving a mixture of aluminum oxide, silicic acid, potassium, iron oxide, sulfuric acid and water into sulfuric acid; (b) adding potassium sulfate solution into the solution, and stirring at a low temperature to produce compositions with soluble aluminum double salt; (c) purifying the compositions to obtain a very pure and dense aluminum potassium sulfate; (d) adding aluminum silicate and water to produce alkali metal polysilicate-sulfate water salt chelate; (e) polymerizing and precipitating the resultant; (f) adding Mgo, Fe 2 O 3 , Ca(OH) 2 , NaOH, KOH, and distilled water; (g) purifying and drying the chelate; (h) mixing the resulting microsphere, with sulfuric acid; (i) further treating the mixture and performing vapor treatment to obtain aluminum silicate molecular sieve; and, (j) polymerizing the aluminum silicate molecular sieves to a highly dense heel.
    本发明公开了一种新型胶体活性成分、制造胶体氧化铝硅胶的方法以及含有该成分的表面活性剂,其中该方法包括以下步骤:(a)将氧化铝、硅酸、钾、氧化铁、硫酸和水的混合物溶解到硫酸中;(b)向溶液中加入硫酸钾溶液,并在低温下搅拌,产生可溶性铝双盐的组合物;(c)纯化组合物,得到非常纯净和致密的铝钾硫酸盐;(d)加入硅酸铝和水,产生碱金属多硅酸盐硫酸盐水盐螯合物;(e)聚合和沉淀产物;(f)加入Mgo、Fe2O3、Ca(OH)2、NaOH、KOH和蒸馏水;(g)纯化和干燥螯合物;(h)将得到的微球体与硫酸混合;(i)进一步处理混合物并进行蒸汽处理,得到铝硅酸盐分子筛;(j)将铝硅酸盐分子筛聚合成高密度鞋底。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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