二乙烯三胺五乙酸五钠 | 140-01-2

• 物质功能分类: 有机原料 - 有机金属盐
• 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
• 中文名称: 二乙烯三胺五乙酸五钠
• 中文别名: 二乙烯三胺五羧酸五钠；二乙三胺五乙酸五钠；过氧化氢分解抑制剂；喷替酸五钠；二亚乙基三氨基五乙酸五钠盐；DTPA 5Na；DTPA-5Na
• 英文名称: Pentasodium diethylenetriaminepentaacetate
• 英文别名: pentasodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
• CAS: 140-01-2
• 化学式: C14H18N3Na5O10
• 分子量: 503.26
• InChiKey: LQPLDXQVILYOOL-UHFFFAOYSA-I

物化性质

• 熔点：
  -40 °C
• 沸点：
  106 °C
• 密度：
  1.29
• LogP：
  -2 at 25℃
• 物理描述：
  DryPowder; Liquid

计算性质

• 辛醇/水分配系数(LogP)：
  -24.34
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  210
• 氢给体数：
  0
• 氢受体数：
  13

ADMET

代谢

Ca-DTPA在体内经历极少的代谢变化。

Ca-DTPA undergoes a minimal amount of metabolic change in the body. /Ca-DTPA/

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毒物清除。如果患者停止呼吸，开始人工呼吸，最好使用需求阀复苏器、袋阀面罩装置或口袋面罩，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。如果发生呕吐，让患者前倾或置于左侧（如果可能的话，头部向下）以保持呼吸道畅通，防止窒息。保持患者安静，维持正常体温。寻求医疗帮助。 /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，协助通气。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）持续冲洗每只眼睛……。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……。/毒药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)

毒理性

• 解毒与急救

/SRP:/ 高级治疗：对于无意识、严重肺水肿或严重呼吸困难的病人，考虑进行口咽或鼻咽气管插管以控制气道。使用气囊面罩装置的正压通气技术可能有益。考虑使用药物治疗肺水肿……。对于严重的支气管痉挛，考虑给予β受体激动剂，如沙丁胺醇……。监测心率和必要时治疗心律失常……。开始静脉输注D5W /SRP: "保持开放"，最小流量/。如果出现低血容量的迹象，使用0.9%生理盐水（NS）或乳酸钠林格液。对于伴有低血容量迹象的低血压，谨慎给予液体。注意液体过载的迹象……。用地西泮或劳拉西泮治疗癫痫……。使用丙美卡因氢氯化物协助眼部冲洗……。/毒物A和B/

/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

迹象和症状...五钠五乙烯醇在临床测试中是非刺激性的到中等刺激性，但不是致敏剂。使用五钠五乙烯醇进行的人类粉刺发生（痤疮促进）测试未发现任何效果...总的来说，这些数据被认为足以支持五钠五乙烯醇的安全性...如在化妆品中使用。

/SIGNS AND SYMPTOMS/ ...Pentasodium pentetate is nonirritating to moderately irritating, but not a sensitizer in clinical tests. A human comedogenicity (acne promotion) test using pentasodium pentetate found no effect ...Overall, these data were considered sufficient to support the safety of pentesodium pentetate ...as used in cosmetics.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

/CASE REPORTS/ 在先前的临床研究中，报告了三名患有严重血色病且接受每日肌注Ca-DTPA治疗以减少铁储存的患者死亡。一名患者在接受了总共14克Ca-DTPA后陷入昏迷并死亡，另外两名患者在每日治疗两周后死亡。这些事件与药物之间的因果关系尚未确立。 /Ca-DTPA/

/CASE REPORTS/ In previous clinical studies, three deaths were reported in patients with severe hemochromatosis who were treated with daily IM Ca-DTPA dosed up to 4 gram per day to reduce iron stores. One patient became comatose and died after receiving a total of 14 gram Ca-DTPA, and the other two died after two weeks of daily treatment. Causal association with these events and the drug has not been established. /Ca-DTPA/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

Ca-DTPA在胃肠道吸收不良。在动物研究中，口服给药后，吸收率大约为5%。在美国的一项登记研究中，18名患者单次吸入或静脉注射1克剂量后，尿液数据显示吸入产品被吸收，并导致放射性污染物的相应排出。一项对2名通过吸入方式接受含有(14)C-DTPA的Ca-DTPA的人类受试者的研究显示，从肺部吸收率大约为20%。 /Ca-DTPA/

Ca-DTPA is poorly absorbed in the GI tract. In animal studies, after oral administration, absorption was approximately 5%. In a U.S. Registry of 18 patients who received a single inhaled or intravenous dose of 1 gram, urine data indicate that the inhaled product was absorbed and resulted in a comparable elimination of the radiocontaminant. One study of 2 human subjects that received Ca-DTPA with (14)C-DTPA by inhalation revealed approximately 20% absorption from the lungs. /Ca-DTPA/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

静脉给药后，Ca-DTPA迅速分布到细胞外液空间。没有显著量的Ca-DTPA渗透到红细胞或其他细胞中。没有观察到Ca-DTPA在特定器官的积累。肾实质对螯合剂的结合很少或没有。/Ca-DTPA/

Following intravenous administration, Ca-DTPA is rapidly distributed throughout the extracellular fluid space. No significant amount of Ca-DTPA penetrates into erythrocytes or other cells. No accumulation of Ca-DTPA in specific organs has been observed. There is little or no binding of the chelating agent by the renal parenchyma. /Ca-DTPA/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

给药后几小时内，Ca-DTPA 通过肾小球滤过作用通过尿液排出体外。尚未有关于肾小管排出的记录。在检测的粪便样本中，只检测到非常少量的放射性（<3%）。

Ca-DTPA is cleared from the plasma in the first few hours after dosing through urinary excretion by glomerular filtration. Renal tubular excretion has not been documented. In stool samples tested, only a very small amount of radioactivity (<3%) was detected.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

750 kBq的(14)C-DTPA在2个受试者中获得了血浆滞留和尿液排泄数据。放射性标记的DTPA迅速分布到细胞外液空间，并通过肾小球过滤清除。至7小时内的血浆滞留由三个指数成分的总和表示，平均半衰期分别为1.4分钟、14.5分钟和94.4分钟。注射后24小时，血浆中的活性水平低于检测限。在研究期间，没有检测到呼出或排泄在粪便中的活性。到24小时时，累积尿液排泄量超过注射剂量的99%。/DTPA/

Plasma retention and urinary excretion data were obtained in 2 subjects that received 750 kBq of (14)C-DTPA. The radiolabeled DTPA was rapidly distributed throughout the extracellular fluid space and was cleared by glomerular filtration. The plasma retention up to 7 hours post dosing was expressed by the sum of three exponential components with average half lives of 1.4 min, 14.5 min, and 94.4 min. The level of activity in the plasma was below the limit of detection 24 hours after injection. During the study, no detectable activity was exhaled or excreted in the feces. By 24 hours, cumulative urinary excretion was more than 99% of the injected dose. /DTPA/

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S39
• 危险类别码：
  R36
• WGK Germany：
  3
• 海关编码：
  2922499990
• RTECS号：
  MB8205000
• 包装等级：
  I; II; III

制备方法与用途

化学性质
本品为淡黄色透明液体，其水溶液呈强碱性。

用途
它用作过氧化氢分解抑制剂，应用于纺织物漂白和造纸纸浆漂白工艺中。

生产方法
将计量的氯乙酸加入反应釜中，在搅拌下加NaOH水溶液溶解。随后加入二乙烯三胺，并在150～180 ℃下反应4小时，最终得到所需产物。

反应信息

• 作为反应物：
  描述：

  铁(2+)硫酸酯 、 二乙烯三胺五乙酸五钠 生成 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;iron(5+)
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  二乙烯三胺五醋酸 、 sodium hydroxide 生成 二乙烯三胺五乙酸五钠
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Polymeric compositions
  申请人：Allied Colloids Limited

  公开号：US04677152A1

  公开（公告）日：1987-06-30

  A polymer of an ethylenically unsaturated monomer containing a pendant hydrophobic group and, optionally, other monomers such as (meth) acrylic acid, ethyl acrylate or acrylamide is provided as a stable, substantially anhydrous dispersion containing at least 40% by weight of the polymer in a continuous phase of a non-aqueous liquid. The polymer in the dispersion generally includes acid groups and is neutralized, preferably with ammonia or a volatile amine. The dispersion can be made by reverse phase polymerization of an aqueous blend of monomers, followed by dehydration, or by making the polymer from a water insoluble blend of monomers by oil in water emulsion polymerization, dispersing the resultant oil in water emulsion into the non-aqueous liquid, and then dehydrating. The monomer including the hydrophobic group is preferably an allyl ether.

  提供了一种含有侧链疏水基团的乙烯基不饱和单体聚合物，可选地，还包括其他单体，如（甲基）丙烯酸，乙基丙烯酸酯或丙烯酰胺，以稳定的、含有至少40%聚合物的无水连续相的分散体形式存在。分散体中的聚合物通常包含酸基，并且被氨或挥发性胺中和。可以通过反相聚合水性单体混合物并脱水，或通过油包水乳液聚合制备不溶于水的单体混合物，将所得的油包水乳液分散在无水液体中，然后脱水来制备分散体。包括疏水基团的单体最好是烯丙醚。
• Water-absorbent resin composition
  申请人：——

  公开号：US20010053807A1

  公开（公告）日：2001-12-20

  The present invention provides a water-absorbent resin composition which contains an aminoacetic chelating agent and is excellent in the urine resistance, wherein the water-absorbent resin composition is excellent further in the light resistance and becomes little colored and might have deodorizability. A water-absorbent resin composition, which comprises a water-absorbent resin and an aminoacetic chelating agent, wherein the mixing ratio of the aminoacetic chelating agent in the water-absorbent resin composition is not less than 10 ppm of the water-absorbent resin, and wherein the total content of nitrilotriacetic acid and its salt in the water-absorbent resin composition is not more than 1 ppm of the water-absorbent resin composition.

  本发明提供了一种含有氨基乙酸螯合剂的吸水树脂组合物，该组合物在耐尿性方面表现出色，且在光线抵抗性方面表现出色，颜色变化很小，可能具有除臭性。一种吸水树脂组合物，包括吸水树脂和氨基乙酸螯合剂，其中氨基乙酸螯合剂在吸水树脂组合物中的混合比不少于吸水树脂的10ppm，且水合树脂组合物中腈三乙酸及其盐的总含量不超过水合树脂组合物的1ppm。
• Preparation of benzoquinones by oxidation of phenols
  申请人：BASF Aktiengesellschaft

  公开号：US05712416A1

  公开（公告）日：1998-01-27

  Process for preparing benzoquinones by oxidation of phenols in the presence of a diluent and of an oxygen-transferring catalyst which contains a heavy metal ion bound in a complex, wherein oxygen, hydrogen peroxide, a compound which liberates hydrogen peroxide, an organic hydroperoxide, a percarboxylic acid or peroxomonosulfuric acid or salts thereof are used as oxidizing agent, and wherein the oxygen-transferring catalyst is from the class of iron, manganese or chromium tetraaza\x9b14!annulenes.

  在存在稀释剂和含有重金属离子的络合物的氧传递催化剂的情况下，通过对苯酚进行氧化制备苯醌的过程中，氧气、过氧化氢、释放过氧化氢的化合物、有机过氧化物、过碳酸酐、过硫酸单酯或其盐被用作氧化剂，其中氧传递催化剂来自四氮杂环十四元族化合物的铁、锰或铬类。
• IONIC POLYMERS, METHOD OF MANUFACTURE, AND USES THEREOF
  申请人：Yontz Dorie J.

  公开号：US20120118832A1

  公开（公告）日：2012-05-17

  An ionic polymer of formula VI wherein each b=0 or 1; X is hydrogen, 1/z of a metal ion of charge z, a protonated nitrogen base, or a tetrasubstituted organic ammonium compound; the molar ratio of q:r:s:t=(100-0.1):(0-99.9):(0-50):(0-30); R 1 , R 2 and R 3 are hydrogen or C 1-4 alkyl; R 4 , R 5 , R 6 and R 7 are hydrogen, C 1-4 alkyl or F, wherein F is a functional group that imparts a property to polymer VI, at least one and no more than two of R 4 , R 5 , R 6 and R 7 are F and F is the same or different; G is a single bond or a C 1-30 hydrocarbyl group; and for each instance of t when t is not zero, c=0-5 and d=0-5, provided that c+d=1-5, and wherein q, r and s as present in c are independent of any other value of q, r and s.

  化学式为VI的离子聚合物，其中每个b=0或1；X是氢、带电荷z的金属离子的1/z、质子化的氮碱基或四取代有机铵化合物；q:r:s:t的摩尔比为(100-0.1)∶(0-99.9)∶(0-50)∶(0-30)；R1、R2和R3为氢或C1-4烷基；R4、R5、R6和R7为氢、C1-4烷基或F，其中F是赋予聚合物VI某种性质的官能团，R4、R5、R6和R7中至少有一个且不超过两个为F，F相同或不同；G为单键或C1-30烃基基团；对于每个t的实例，当t不为零时，c=0-5且d=0-5，前提是c+d=1-5，且在c中出现的q、r和s与任何其他q、r和s的值是独立的。
• Ionic polymers, method of manufacture, and uses thereof
  申请人：Yontz Dorie J.

  公开号：US08846817B2

  公开（公告）日：2014-09-30

  An ionic polymer of formula VI wherein each b=0 or 1; X is hydrogen, 1/z of a metal ion of charge z, a protonated nitrogen base, or a tetrasubstituted organic ammonium compound; the molar ratio of q:r:s:t=(100-0.1):(0-99.9):(0-50):(0-30); R1, R2 and R3 are hydrogen or C1-4 alkyl; R4, R5, R6 and R7 are hydrogen, C1-4 alkyl or F, wherein F is a functional group that imparts a property to polymer VI, at least one and no more than two of R4, R5, R6 and R7 are F and F is the same or different; G is a single bond or a C1-30 hydrocarbyl group; and for each instance of t when t is not zero, c=0-5 and d=0-5, provided that c+d=1-5, and wherein q, r and s as present in c are independent of any other value of q, r and s.

  公式VI的离子聚合物，其中每个b=0或1; X是氢，电荷为z的金属离子的1/z，质子化的氮碱基或四取代有机铵化合物; q:r:s:t的摩尔比=（100-0.1）:(0-99.9):(0-50):(0-30); R1、R2和R3是氢或C1-4烷基; R4、R5、R6和R7是氢、C1-4烷基或F，其中F是赋予聚合物VI性质的功能基团，R4、R5、R6和R7中至少有一个且不超过两个是F，F相同或不同; G是单键或C1-30烃基基团; 对于每个t的实例，当t不为零时，c=0-5且d=0-5，前提是c+d=1-5，其中c中存在的q、r和s独立于q、r和s的任何其他值。

表征谱图