3,3,5,5,6-pentachloro-4-oxo-cyclohex-1-enecarboxylic acid | 99586-72-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,3,5,5,6-pentachloro-4-oxo-cyclohex-1-enecarboxylic acid
• 英文别名: 3,3,5,5,6-Pentachlor-4-oxo-cyclohex-1-encarbonsaeure；3.3.5.5.6-Pentachlor-cyclohexen-(1)-on-(4)-carbonsaeure-(1)；3.3.5.5.6-Pentachlor-4-keto-Δ¹-tetrahydrobenzoesaeure
• CAS: 99586-72-8
• 化学式: C₇H₃Cl₅O₃
• 分子量: 312.364
• InChiKey: PABFIZYZNMGCMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.54
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  54.37
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3,3,5,5,6-pentachloro-4-oxo-cyclohex-1-enecarboxylic acid 、 alkaline earth salt of/the/ methylsulfuric acid 生成 3,5-二氯-4-羟基苯甲酸
  参考文献：
  名称：

  Selected Tricyclic Antidepressant Ingestions Involving Children 6 Years Old or Less

  摘要：

  Abstract. Objective: According to the annual report of the American Association of Poison Control Centers, tricyclic antidepressant (TCA) ingestions accounted for 15,708 exposures in 1998, of which 70% (all age groups) were treated at health care facilities (HCFs), with an estimated 2,022 children less than 6 years of age exposed. The study objective was to evaluate the manifestations, referral patterns, HCF management, and medical outcomes in pediatric patients 6 years old or less with TCA ingestions reported to a regional poison control center. Methods: All TCA (amitriptyline, clomipramine, desipramine, doxepin, imipramine, nortriptyline) ingestions from January 1, 1993, to December 31, 1997, involving patients aged 6 years or less managed by the poison control center were evaluated for dose, symptoms, treatments, disposition, and outcome. Results: Forty‐four of 48 patients (92%) were asymptomatic. All were single‐drug exposures. Forty‐three patients (90%) ingested a TCA dose that was less than the normally prescribed pediatric dose (5 mg/kg). Of the five children ingesting >5 mg/kg (range 5‐9.4 mg/kg), only one (5.3 mg/kg) was mildly symptomatic (drowsy) prior to admission. Thirty‐one of the 48 (65%) were sent to the emergency department (dose range 0.59‐9.4 mg/kg). Fourteen of the 31 were admitted for 12‐24‐hour observation and none subsequently developed symptoms. Twenty‐three (74%) received activated charcoal (AC). There was no difference in outcome between the children who did and did not receive AC. Conclusions: No case of significant toxicity occurred in the children who experienced unintentional TCA ingestions in this study population. None of the children in the study had toxicity at doses <5 mg/kg. Further study is necessary to develop clinical guidelines for the appropriate referral of unintentional ingestions of TCA involving children.

  DOI：

  10.1111/j.1553-2712.2001.tb01278.x
• 作为产物：
  描述：

  对氨基苯甲酸 在 盐酸 、 氯 、 溶剂黄146 作用下， 生成 3,3,5,5,6-pentachloro-4-oxo-cyclohex-1-enecarboxylic acid
  参考文献：
  名称：

  van der Stelt; Nauta, Recueil des Travaux Chimiques des Pays-Bas, 1959, vol. 78, p. 534,540

  摘要：

  DOI：