Barium cadmium tetrastearate | 1191-79-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Barium cadmium tetrastearate
• CAS: 1191-79-3
• 化学式: C72H144BaCaO8
• 分子量: 1315.3
• InChiKey: QUYWCSYLNAVUQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.57
• 重原子数：
  82
• 可旋转键数：
  64
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  149
• 氢给体数：
  4
• 氢受体数：
  8

ADMET

代谢

硫酸钡化合物通过摄入和吸入被吸收，其程度取决于各个化合物。在人体内，大部分的钡存在于骨骼中，而少量存在于肌肉、脂肪、皮肤和结缔组织中。钡在体内不被代谢，但它可能会被运输或结合到复合物或组织中。钡通过尿液和粪便排出。镉通过口腔、吸入和皮肤途径被吸收。镉最初与金属硫蛋白和清蛋白结合，并主要运输到肾脏和肝脏。当镉的浓度超过可用金属硫蛋白的浓度时，就会观察到毒性效应，并且已经证实镉-金属硫蛋白复合物可能具有损害性。镉不为人所知地经历任何直接的代谢转化，并以原样主要在尿液中排出。(L6, L214)

Barium compounds are absorbed via ingestion and inhalation, the extent of which depends on the individual compound. In the body, the majority of the barium is found in the bone, while small amounts exists in the muscle, adipose, skin, and connective tissue. Barium is not metabolized in the body, but it may be transported or incorporated into complexes or tissues. Barium is excreted in the urine and faeces. Cadmium is absorbed from oral, inhalation, and dermal routes. Cadmium initially binds to metallothionein and albumin and is transported mainly to the kidney and liver. Toxic effects are observed once the concentration of cadmium exceeds that of available metallothionein, and it has also been shown that the cadmium-metallothionein complex may be damaging. Cadmium is not known to undergo any direct metabolic conversion and is excreted unchanged, mainly in the urine. (L6, L214)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

钡是一种竞争性的钾通道拮抗剂，它可以阻止细胞内钾离子的被动外流，导致钾离子从细胞外向细胞内部分隔室转移。细胞内钾离子的转移导致静息膜电位的降低，使得肌肉纤维在电学上不可兴奋，从而引起瘫痪。钡的一些效果可能也是由于钡诱导的神经肌肉阻滞和膜去极化。镉最初与金属硫蛋白结合，并运输到肾脏。当镉的浓度超过可用金属硫蛋白的浓度时，就会观察到毒性效应，并且已经表明镉-金属硫蛋白复合物可能具有损害性。镉在肾脏中的积累导致重要的低分子量和高分子量蛋白的排泄增加。镉是一种高亲和力的锌类似物，可以干扰其生物过程。它还与并激活雌激素受体，可能刺激某些类型的癌细胞生长并引起其他雌激素效应，如生殖功能障碍。镉通过激活丝裂原活化蛋白激酶导致细胞凋亡。

Barium is a competitive potassium channel antagonist that blocks the passive efflux of intracellular potassium, resulting in a shift of potassium from extracellular to intracellular compartments. The intracellular translocation of potassium results in a decreased resting membrane potential, making the muscle fibers electrically unexcitable and causing paralysis. Some of these barium's effects may also be due to barium induced neuromuscular blockade and membrane depolarization. Cadmium initially binds to metallothionein and is transported to the kidney. Toxic effects are observed once the concentration of cadmium exceeds that of available metallothionein, and it has also been shown that the cadmium-metallothionein complex may be damaging. Accumulation of cadmium in the kidney results in increased excretion of vital low and high weight molecular proteins. Cadmium is a high affinity zinc analog and can interfere in its biological processes. It also binds to and activates the estrogen receptor, likely stimulating the growth of certain types of cancer cells and causing other estrogenic effects, such as reproductive dysfunction. Cadmium causes cell apoptosis by activating mitogen-activated protein kinases. (L8, A18, A19, A28, L214)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

1, 对人类致癌。

1, carcinogenic to humans. (L135)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

不同钡化合物的健康影响取决于化合物在水中或胃内容物中的溶解程度。在低剂量时，钡作为一种肌肉刺激剂，而较高剂量则影响神经系统，导致心脏不规律、震颤、无力、焦虑、呼吸困难、麻痹甚至可能死亡。钡还可能引起胃肠功能紊乱，损害肾脏并导致体重下降。长期暴露在镉烟雾中可能导致化学性肺炎、肺水肿以及诸如支气管炎和肺气肿等肺部疾病。镉还会在肾脏中累积，造成永久性损害。还会发生骨密度流失。

The health effects of the different barium compounds depend on how well the compound dissolves in water or the stomach contents. At low doses, barium acts as a muscle stimulant, while higher doses affect the nervous system, causing cardiac irregularities, tremors, weakness, anxiety, dyspnea, paralysisand possibly death. Barium may also cause gastrointestinal disturbances, damage the kidneys and cause decreases in body weight. Chronic exposure to cadmium fumes can cause chemical pneumonitis, pulmonary edema, and lung diseases such as bronchitis and emphysema. Cadmium also accumulates in the kidneys, causing permanent damage. Loss of bone density also occurs. (L6, L214)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L6）；吸入（L6）；皮肤（L6）

Oral (L6) ; inhalation (L6) ; dermal (L6)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

摄入过量的钡可能导致呕吐、腹部绞痛、腹泻、呼吸困难、血压升高或降低、面部周围麻木和肌肉无力。高剂量可能引起心脏节律变化或瘫痪，甚至可能死亡。急性吸入镉烟会导致金属烟雾热，其特征是寒战、发热、头痛、虚弱、鼻和喉咙干燥、胸痛和咳嗽。摄入镉会导致呕吐和腹泻。

Ingesting excess barium may cause vomiting, abdominal cramps, diarrhea, difficulties in breathing, increased or decreased blood pressure, numbness around the face, and muscle weakness. High levels may result in changes in heart rhythm or paralysis and possibly death. Acute inhalation of cadmium fumes results in metal fume fever, which is characterized by chills, fever, headache, weakness, dryness of the nose and throat, chest pain, and coughing. Ingestion of cadmium causes vomiting and diarrhea. (L6, L214 )

来源:Toxin and Toxin Target Database (T3DB)

制备方法与用途

类别：有毒物品

• 毒性分级：中毒
• 急性毒性：
  • 口服-大鼠 LD₅₀: 1,980 毫克/公斤
  • 口服-小鼠 LD₅₀: 1,381 毫克/公斤

可燃性危险特性：可燃；燃烧时产生有毒的钡和镉氧化物烟雾。

储运特性：通风、低温、干燥环境储存运输。

灭火剂：干粉、泡沫、沙土、二氧化碳、雾状水。

职业标准：

• 钡：时间加权平均容许浓度（TWA）0.5 毫克/立方米
• 镉：时间加权平均容许浓度（TWA）0.01 毫克/立方米