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magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;dihydrate

中文名称
——
中文别名
——
英文名称
magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;dihydrate
英文别名
——
magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;dihydrate化学式
CAS
——
化学式
C12H26MgO16
mdl
——
分子量
450.63
InChiKey
HJWFTNWQKDPLAS-SYAJEJNSSA-L
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):
    -11.69
  • 重原子数:
    29
  • 可旋转键数:
    12
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.83
  • 拓扑面积:
    285
  • 氢给体数:
    12
  • 氢受体数:
    16

ADMET

毒理性
  • 毒性总结
大白鼠口服LD50为9100毫克/千克。来自饮食来源的过量镁在健康人中不会构成健康风险,因为肾脏会将过量的镁通过尿液排出体外。另一方面,从膳食补充剂或药物中摄入的高剂量镁通常会导致腹泻,这种情况可能会伴随恶心和腹部绞痛。最常导致腹泻的镁形式包括碳酸镁、氯化镁、葡萄糖酸镁和氧化镁。镁盐的腹泻和泻药效果是由于未吸收的盐分在小肠和结肠中的渗透活性和对胃动力的刺激。口服摄入后出现高镁血症的情况在肾功能障碍的患者中不常见。高镁血症的症状和体征可能包括呼吸抑制、由于神经肌肉阻滞导致的深部肌腱反射消失、恶心、呕吐、面部潮红、低血压、嗜睡、心动过缓和肌肉无力。 含有镁的泻药和抗酸剂(通常每天提供超过5000毫克的镁)的非常高的剂量与镁中毒的发生有关,包括一名28个月大的男孩以及一位老年人因高镁血症而死亡。镁中毒的症状,通常在浓度为1.74–2.61毫摩尔/升时出现,可能包括低血压、恶心、呕吐、面部潮红、尿潴留、肠梗阻、抑郁和乏力,然后进展为肌肉无力、呼吸困难、极度低血压、心跳不规则和心脏骤停。镁中毒的风险随着肾功能受损或肾衰竭而增加,因为去除过量镁的能力降低或丧失。 治疗:对于肾功能正常的患者,可以给予静脉输液或呋塞米以促进镁的排泄。对于有症状的高镁血症患者,可以缓慢静脉注射葡萄糖酸钙以对抗镁对心脏和神经肌肉的影响。
Oral LD50 is 9100 mg/kg in the rat. Excess magnesium from dietary sources does not pose a health risk in healthy individuals because the kidneys eliminate excess amounts of magnesium in the urine. On the other hand, high doses of magnesium from dietary supplements or medications often result in diarrhea that can be combined with nausea and abdominal cramping. Forms of magnesium most commonly reported to cause diarrhea include magnesium carbonate, chloride, gluconate, and oxide. Diarrheal and laxative effects of magnesium salts are due to the osmotic activity of unabsorbed salts in the intestine and colon and the stimulation of gastric motility. Hypermagnesaemia after oral ingestion is uncommon except in patients with renal impairment. Signs and symptoms of hypermagnesemia may include respiratory depression, loss of deep tendon reflexes due to neuromuscular blockade, nausea, vomiting, flushing, hypotension, drowsiness, bradycardia and muscle weakness. Very high doses of magnesium-containing laxatives and antacids (normally providing more than 5,000 mg/day magnesium) have been associated with the occurrence of magnesium toxicity, including fatal hypermagnesemia in a 28-month-old boy as well as an elderly man. Symptoms of magnesium toxicity, normally presenting at concentrations of 1.74–2.61 mmol/L, may include hypotension, nausea, vomiting, facial flushing, retention of urine, ileus, depression, and lethargy before progressing to muscle weakness, difficulty breathing, extreme hypotension, irregular heartbeat, and cardiac arrest. The risk of magnesium toxicity increases with compromised renal function or kidney failure because the ability to remove excess magnesium is reduced or lost. Treatment: In patients with normal renal function, IV fluids or furosemide may be administered to promote the excretion of magnesium. In patients with symptomatic hypermagnesaemia, slow IV injection of calcium gluconate can be administered to antagonize the cardiac and neuromuscular effects of magnesium.
来源:DrugBank
毒理性
  • 蛋白质结合
大约25-30%。在蛋白质结合部分中,60-70%与白蛋白相关联,其余则与其他球蛋白结合。
Approximately 25-30%. Of the protein bound fraction, 60–70% is associated with albumin and the rest is bound to other globulins.
来源:DrugBank
吸收、分配和排泄
  • 吸收
高脂肪饮食可能会减少饮食中吸收的镁的量。过度烹饪食物也可能减少从饮食来源吸收的镁的量。大约有1/3的镁从小肠吸收。吸收的镁的比例与摄入量的多少成反比。口服吸收的估计在15%到30%之间。
A high-fat diet may decrease the amount of magnesium absorbed in the diet. Over-cooking food also may decrease the amount of magnesium absorbed from dietary sources. About 1/3 of magnesium is absorbed from the small intestine. The fraction of magnesium absorbed is inversely proportional to amount ingested. Oral absorption is estimated to be 15% to 30%.
来源:DrugBank
吸收、分配和排泄
  • 消除途径
口服:通过尿液(吸收部分);粪便(未吸收部分)。磷酸盐耗竭与尿液中镁排泄量显著增加有关,可能导致低镁血症。高钙血症与尿液中镁排泄量增加有关。高钙血症中镁排泄量的增加大于钙排泄量的增加,这是由于亨勒环的重吸收减少。高钙血症导致近端肾小管等渗重吸收减少,导致更多的钠、水、钙和镁输送到亨勒环。由于这种流量增加到达亨勒环的厚升支,可能会抑制钙和镁的转运。此外,管周高钙浓度直接抑制该段中两种离子的转运。渗透性利尿剂如甘露醇和葡萄糖会导致镁排泄量显著增加。袢利尿剂诱导高镁尿症,镁排泄量的增加大于钠或钙,这表明袢利尿剂可能直接抑制镁的转运。
Oral: Via urine (absorbed fraction); feces (unabsorbed fraction). Phosphate depletion is associated with a significant increase in urinary magnesium excretion and may lead to hypomagnesemia. Hypercalcemia is associated with an increased urinary excretion of magnesium. The increase in magnesium excretion in hypercalcemia is greater than the increase in calcium excretion and is due to decreased reabsorption in the loop of Henle. Hypercalcaemia leads to a reduction in isotonic reabsorption in the proximal renal tubule causing greater delivery of sodium, water, calcium and magnesium to the loop of Henle. As a result of this increased flow to thick ascending loop of henle, calcium and magnesium transport may be inhibited. In addition, the high peritubular concentration of calcium directly inhibits the transport of both ions in this segment. Osmotic diuretics such as mannitol and glucose cause a marked increase in magnesium excretion. Loop diuretics induce hypermagnesuria, and the increase in magnesium excretion is greater than that of sodium or calcium suggesting that loop diuretics may directly inhibit magnesium transport.
来源:DrugBank
吸收、分配和排泄
  • 分布容积
大约60%的镁存在于骨骼中,其中30%可以交换,并作为储备库以稳定血清浓度。大约20%存在于骨骼肌中,19%在其他软组织中,不到1%在细胞外液中。骨骼肌和肝脏含有7-9 mmol/公斤湿组织的镁;其中20-30%可以轻易交换。在健康的成年人中,总血清镁的范围在0.70到1.10 mmol/L。大约20%与蛋白质结合,65%是离子化的,其余与各种阴离子如磷酸盐和柠檬酸盐结合。
About 60% of the magnesium is present in bone, of which 30% is exchangeable and functions as a reservoir to stabilize the serum concentration. About 20% is found in skeletal muscle, 19% in other soft tissues and less than 1% in the extracellular fluid. Skeletal muscle and liver contain between 7–9 mmol/Kg wet tissue; between 20–30% of this is readily exchangeable. In healthy adults, the total serum magnesium is in the range of 0.70 and 1.10 mmol/L. Approximately 20% of this is protein bound, 65% is ionized and the rest is combined with various anions such as phosphate and citrate.
来源:DrugBank
吸收、分配和排泄
  • 清除
肾脏在维持镁的稳态和血浆镁浓度方面起着重要作用。在正常情况下,当总血浆镁的80%可以超滤时,每天过滤的镁量为84毫摩尔,其中95%被重吸收,大约有3-5毫摩尔的镁随尿液排出。
The kidney plays a major role in magnesium homeostasis and the maintenance of plasma magnesium concentration. Under normal circumstances, when 80% of the total plasma magnesium is ultrafiltrable, 84 mmol of magnesium is filtered daily and 95% of this amount it reabsorbed leaving about 3–5 mmol to be excreted in the urine.
来源:DrugBank