dikegulac sodium | 52508-35-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: dikegulac sodium
• 英文别名: sodium;(1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate
• CAS: 52508-35-7
• 化学式: C₁₂H₁₇O₇*Na
• 分子量: 296.253
• InChiKey: DEWVPZYHFVYXMZ-QCILGFJPSA-M

物化性质

• 颜色/状态：
  Colorless crystals
• 熔点：
  >300 °C
• 溶解度：
  In water, 5.90X10+5 mg/L at 25 °C
• 稳定性/保质期：

  Stable in the dry state. In aqueous solution, stable in neutral and alkaline conditions, but unstable in acidic conditions. Decomposed when heated above 50 °C. Stable to light.

计算性质

• 辛醇/水分配系数(LogP)：
  -3.86
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  86.3
• 氢给体数：
  0
• 氢受体数：
  7

ADMET

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，防止吸入。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，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……。预防癫痫发作，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、有强烈的干呕反射且不流口水，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"，最低流量/。如果出现低血容量的迹象，使用0.9%生理盐水（NS）或乳酸林格氏液。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……。使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……。 /Poisons A and 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

• 非人类毒性摘录

实验室动物：急性暴露/在兔子的急性皮肤刺激性研究中，涂抹后72小时出现了轻微的皮肤刺激/轻微红斑。

/LABORATORY ANIMALS: Acute Exposure/ /In an/ acute dermal irritation study in rabbits, slight dermal irritation/slight erythema was apparent 72 hours after application.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

实验室动物：急性暴露/在兔子的急性眼睛刺激研究中，没有观察到角膜效应。虹膜变化在所有眼睛中在7天内消退，结膜变化在10天内消退。

/LABORATORY ANIMALS: Acute Exposure/ /In an/ acute eye irritation study in rabbits, no corneal effects were observed. Iridial changes subsided in all eyes by 7 days and conjunctival changes subsided by 10 days.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  氯乙醛 、 异氰酸叔丁酯 、 dikegulac sodium 、 N-苄基乙二胺 以 甲醇 、 水 为溶剂， 反应 72.0h， 以13%的产率得到
  参考文献：
  名称：

  一种高效，通用的哌嗪-2-甲酰胺的合成方法

  摘要：

  描述了哌嗪-2-羧酰胺5的有效且通用的合成。该制剂由N-烷基乙二胺1，氯乙醛（2），异腈3和羧酸4之间的一锅四组分Ugi缩合组成。

  DOI：

  10.1016/s0040-4039(97)00607-2
• 作为产物：
  描述：

  Diacetone L-sorbose 生成 dikegulac sodium
  参考文献：
  名称：

  ANISIMOV, I. EH.;PALCHIK, K. B.;GURNIKOV, X. I.;TERENTEV, V. V.;KOZLOV, A+

  摘要：

  DOI：

文献信息

• [EN] PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO<br/>[FR] COMPOSITIONS PESTICIDES ET PROCÉDÉS RELATIFS À CES COMPOSITIONS
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2013009791A1

  公开（公告）日：2013-01-17

  This document discloses molecules having the following formula ("Formula One") The molecules disclosed in this document are related to the field of processes to produce molecules that are useful as pesticides (e.g., acaricides, insecticides, molluscicides, and nematicides), such molecules, and processes of using such molecules to control pests.

  这份文件公开了具有以下公式（“公式一”）的分子。本文档中披露的分子与生产作为农药（例如，杀螨剂、杀虫剂、杀软体动物剂和杀线虫剂）有用的分子的过程领域有关，以及这样的分子和使用这样的分子控制害虫的过程。
• Pesticidal Compositions and Processes Related Thereto
  申请人：Yap Maurice C.H.

  公开号：US20120110702A1

  公开（公告）日：2012-05-03

  This document discloses molecules having the following formula (“Formula One”): and processes related thereto.

  这份文件公开了具有以下公式（“公式一”）的分子以及与之相关的过程。
• PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO
  申请人：DOW AGROSCIENCES LLC

  公开号：US20130288893A1

  公开（公告）日：2013-10-31

  This document discloses molecules having the following formula (“Formula One”): and processes related thereto.

  这份文件公开了具有以下公式（“公式一”）的分子以及与之相关的过程。
• HERBICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES OF TETRAHYDRO- AND DIHYDROFURANCARBOXAMIDES
  申请人：BAYER AKTIENGESELLSCHAFT

  公开号：US20200216403A1

  公开（公告）日：2020-07-09

  The invention relates to 3-phenylisoxazoline-5-carboxamides of tetrahydro and dihydrofuran carboxamides of general formula (I) and to their agrochemically compatible salts (I) as well as to the use thereof in the field of plant protection.

  这项发明涉及一般式(I)的3-苯基异噁唑啉-5-羧酰胺以及其农药兼容盐(I)，以及它们在植物保护领域中的应用。
• PHYTOSANITARY COMPOSITIONS COMPRISING AN ETHER-AMIDE COMPOUND
  申请人：RHODIA OPERATIONS

  公开号：US20150208645A1

  公开（公告）日：2015-07-30

  The object of the present invention is phytosanitary compositions comprising an active phytosanitary product and an ether-amide compound. The ether-amide compound may natively be present as a solvent, co-solvent, crystallization inhibitor or an agent for increasing bioactivity of the active phytosanitary product.

  本发明的对象是包括活性植物保健产品和醚酰胺化合物的植物保健组合物。该醚酰胺化合物可以作为溶剂、共溶剂、结晶抑制剂或用于增加活性植物保健产品生物活性的剂。