Disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid | 139-33-3

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机钠
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
• CAS: 139-33-3；6381-92-6
• 化学式: C10H16N2Na2O8+2
• 分子量: 338.22
• InChiKey: ZGTMUACCHSMWAC-UHFFFAOYSA-N

物化性质

• 熔点：
  248 °C (dec.)(lit.)
• 沸点：
  >100 °C
• 密度：
  1.01 g/mL at 25 °C
• 溶解度：
  H2O：透明，无色
• LogP：
  -4.3 at 25℃
• 物理描述：
  DryPowder; OtherSolid
• 颜色/状态：
  White crystalline powder
• 闪点：
  Flash point is> 100 °C,
• 蒸汽压力：
  7.57X10-17 mm Hg at 25 °C (est)
• 分解：
  Disodium EDTA decomposes at 252 °C.

计算性质

• 辛醇/水分配系数(LogP)：
  -8.06
• 重原子数：
  22
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  156
• 氢给体数：
  4
• 氢受体数：
  10

ADMET

毒理性

• 相互作用

调查人员报告称，在雄性斯普拉格-道莱大鼠中，二钠EDTA（10毫克/毫升）增加了中性、碱性、和酸性化合物的肠道吸收。螯合剂增加了(14)C-甘露醇和(14)C-菊粉的吸收，从不到2%增加到7%-b 1%，增加了(14)C-N-甲基癸烷的吸收，从2%-3%增加到11%-15%，以及增加磺胺酸的吸收，从11%-14%增加到26%-32%。与对照相比，药物的血浆浓度增加了五到六倍。

/Investigators/ reported that Disodium EDTA (10 mg/mL) increased the intestinal absorption of neutral, basic, and acidic compounds in the male Sprague-Dawley rat. The chelating agent increased the absorption of (14)C-mannitol and (14)C-inulin from <2% to 7%-b 1%, the absorption of (14)C-N-methyldecamethonium from 2%-3% to 11%-15%, and the absorption of sulfanilic acid from 11%-14% to 26%-32%. Plasma concentrations of the drugs were increased as much as five- or sixfold, compared to controls.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 相互作用

1% (w/v; 24 mM) 的 Disodium EDTA 能显著增加 Charles River 大鼠小肠对乙酰唑胺的吸收。与1% (w/v) 还原型谷胱甘肽联合使用时，小肠吸收量增加了1.5到2倍；然而，EDTA和谷胱甘肽处理并未影响胃部吸收。研究者们认为，Disodium EDTA 通过螯合镁和钙离子，改变了肠上皮的水通透性，从而分离上皮细胞。

Disodium EDTA at a concentration of 1% (w/v; 24 mM) increased the in situ drug absorption of acetazolamide from the small intestine of male Charles River rats when administered with 1% (w/v) reduced glutathione. Intestinal absorption was increased by 1.5 to 2 times; however, absorption from the stomach was not affected by treatment with EDTA and glutathione. The investigators suggested that Disodium EDTA altered the aqueous permeability of the intestinal epithelium by the chelation of magnesium and calcium ions, thereby separating the epithelial cells.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

肾脏毒性（例如，急性肾小管坏死、蛋白尿和血尿）可以通过充分的水化、建立充足的尿流量、避免过量用药以及将连续给药限制在5天或更少的天数来最小化。在严重中毒的治疗期间，以及在其他情况下的第二天和第五天，应每天进行肾功能实验室评估。

Nephrotoxicity (e.g., acute tubular necrosis, proteinuria, and hematuria) may be minimized by adequate hydration, establishment of adequate urine flow, avoidance of excessive doses, and limitation of continuous administration to 5 or fewer days. Laboratory assessment of renal function should be performed daily during treatment for severe intoxication and after the second and fifth days in other cases.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 立即急救：确保已经进行了充分的中和。如果患者停止呼吸，请开始人工呼吸，最好使用需求阀复苏器、球囊阀面罩设备或口袋面罩，按训练操作。如有必要，执行心肺复苏。立即用缓慢流动的水冲洗受污染的眼睛。不要催吐。如果患者呕吐，让患者向前倾或将其置于左侧（如果可能的话，头部向下）以保持呼吸道畅通，防止吸入。保持患者安静，维持正常体温。寻求医疗救助。 /毒物A和B/

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 基本治疗：建立专利气道（如有需要，使用口咽或鼻咽气道）。如有必要，进行吸痰。观察呼吸不足的迹象，如有需要，辅助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测肺水肿，如有必要，进行治疗……。监测休克，如有必要，进行治疗……。预期癫痫发作，如有必要，进行治疗……。对于眼睛污染，立即用水冲洗眼睛。在运输过程中，用0.9%的生理盐水（NS）连续冲洗每只眼睛……。不要使用催吐剂。对于摄入，如果患者能吞咽、有强烈的呕吐反射且不流口水，则用温水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释……。在去污后，用干燥的无菌敷料覆盖皮肤烧伤……。/毒物A和B/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

静脉给药后，形成的螯合物在尿液中排出，1小时内出现50%，24小时内超过95%。

After intravenous administration, the chelate formed is excreted in the urine with 50% appearing in 1 hour and over 95% in 24 hours.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

EDTA二钠 ... /在/胃肠道吸收不良，并且/在/用作药物制剂中的辅料时与少数不良反应有关。

Disodium edentate ... /is/ poorly absorbed from the gastrointestinal tract and /is/ associated with few adverse effects when used as an excipient in pharmaceutical preparations.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

二十只雄性Sprague-Dawley大鼠被分成四组，每组五只。第一组大鼠接受(14)C Disodium EDTA的腹腔注射，第二组在大片脱毛的皮肤上接受这种化合物，第三组在大片脱毛和磨损的皮肤上接受这种化合物（每隔2或3厘米磨损一次处理区域），第四组为对照组。 (14)C Disodium EDTA的比活度为21.6 mCi/mM，溶于生理盐水中，最终溶液浓度为50 pCi/mL。接受腹腔注射的大鼠注射0.5 mL的这种溶液，即25 pCi的(14)C Disodium EDTA。将化合物涂在皮肤上的大鼠以软膏形式接受25 pCi的(14)C Disodium EDTA（莫达兰，矿油，石蜡，鲸蜡醇35:21:25:12），涂抹在50平方厘米的面积上，覆盖在一层薄薄的聚乙烯片上。这张薄片被贴在大鼠的躯干上。在大鼠的脖子上固定了一个项圈。所有动物在处理后24小时被斩首。腹腔给药后24小时(14)C Disodium EDTA的组织分布（每100毫克湿脏重）如下：肝脏577+/- 13，小肠631 +/- 25，大肠696 +/- 19，肾脏1964 +/- 220。在正常皮肤上涂抹24小时后的组织分布如下：肝脏6 +/- 4，小肠99 +/- 22，大肠107 +/- 24，肾脏29 +/- 12。在磨损皮肤上涂抹24小时后的组织分布如下：肝脏139 +/- 34，小肠214 +/- 76，大肠309 +/- 115，肾脏222 +/- 30。

Twenty male Sprague-Dawley rats were divided into four groups of five animals each. Rats in group 1 received ip injections of (14)C Disodium EDTA, group 2 received this compound on depilated skin, rats in group 3 received this compound on depilated and abraded skin (abraded every 2 or 3 cm over treated area), and group 4 was the control group. The specific activity of the (14)C Disodium EDTA was 21.6 mCi/mM and it was dissolved in saline to yield a final solution of 50 pCi/mL. Animals that received ip injections got 0.5 mL of this solution, or 25 pCi of (14)C Disodium EDTA. Animals that had the compound applied to the skin received 25 pCi of (14)C Disodium EDTA in the form of an ointment (modulan, mineral oil, petrolatum, cetyl alcohol 35:21 :25:12) spread over an area of 50 sq cm spread over a sheet of thin polyethylene. This sheet was taped to the trunk of each animal. A collar was fixed around the neck of the rats. All animals were decapitated 24 hours after treatment. The tissue distribution (per 100 mg wet organ weight) of (14)C Disodium EDTA 24 hours after ip administration was as follows: liver 577+/- 13, small intestine 631 +/- 25, large intestine 696 +/- 19, and kidney 1964 +/- 220. Twenty-four hours after application on normal skin the tissue distribution was as follows: liver 6 +/- 4, small intestine 99 +/- 22, large intestine 107 +/- 24, and kidneys 29 +/- 12. Twenty-four hours after application on abraded skin the tissue distribution was as follows: liver 139 +/- 34, small intestine 214 +/- 76, large intestine 309 +/- 115, and kidneys 222 +/- 30.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

调查人员报告称，喂食0.5%，1.0%和5.0%的EDTA二钠12周的大鼠分别通过尿液和粪便排出了82.2%，44.5%和45.4%的摄入剂量。粪便中包含了99.4%，98.2%和97.5%的排出物质，而尿液中分别含有0.6%，1.8%和2.5%的物质，对应各自的剂量。

/Investigators/ reported that rats fed 0.5%, 1.0%, and 5.0% Disodium EDTA for 12 weeks excreted 82.2%, 44.5%, and 45.4%, respectively, of the ingested dose in the urine and feces. The feces contained 99.4%, 98.2%, and 97.5% of the excreted material and the urine contained 0.6%, 1.8%, and 2.5% of the material for the respective doses.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xn
• 安全说明：
  S26,S36,S37/39
• 危险类别码：
  R22,R36/37/38
• WGK Germany：
  2
• 海关编码：
  2922499990
• 危险品运输编号：
  NONH for all modes of transport
• RTECS号：
  AH4410000
• 包装等级：
  Z01
• 危险性防范说明：
  P260,P264,P270,P271,P280,P301+P312+P330,P304+P340+P312,P305+P351+P338+P310,P314,P501
• 危险性描述：
  H302+H332,H318,H373

制备方法与用途

性质

EDTA具有广泛的配位性能，几乎能与所有的金属离子形成稳定的螯合物。这提供了广泛测定元素的可能性（优于酸碱和沉淀法），但也存在不利之处：多种组分之间易干扰，降低了选择性。

1. EDTA与大多数金属离子形成的M-EDTA配位比为1:1。
2. 螯合物大多带电荷，因此能够溶于水，并且反应迅速。

用途

乙二胺四乙酸二钠广泛应用于多个领域，包括彩色感光材料的冲洗加工、漂白定影液、净水剂、pH调节剂、螯合剂及阻凝剂。此外，它还用于纺织印染、洗涤剂以及冶金工业方面。

食品添加剂最大允许使用量与残留量标准

乙二胺四乙酸二钠作为一种食品工业用加工助剂，在特定食品中被允许使用。一般应在制成最终产品前去除，但某些规定的食品除外。

• 添加剂中文名称：乙二胺四乙酸二钠
• 允许使用该种添加剂的食品中文名称：各种食品
• 添加剂功能：食品工业用加工助剂
• 最大允许使用量（g/kg）：未具体规定
• 最大允许残留量（g/kg）：一般应在制成最后成品之前去除，有规定食品中残留量的除外

生产方法

1. 将氯乙酸钠与乙二胺缩合，经酸化得乙二胺四乙酸。
2. 再用氢氧化钠中和即得。将所得粗品溶于10倍水中，加入等体积乙醇以析出二钠盐，然后过滤、洗涤。