(3S,9E)-heptadeca-1,9-dien-4,6-diyn-3-ol

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (3S,9E)-heptadeca-1,9-dien-4,6-diyn-3-ol
• 化学式: C₁₇H₂₄O
• 分子量: 244.37
• InChiKey: UGJAEDFOKNAMQD-DVQDXYAYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

ADMET

毒理性

• 解毒与急救

基本治疗：建立通畅气道。如有必要，进行吸痰。鼓励患者深呼吸。观察呼吸不足的迹象，如有必要，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，并在必要时进行治疗……。监测休克，并在必要时进行治疗……。预期可能出现癫痫，并在必要时进行治疗……。对于眼睛污染，立即用水冲洗眼睛。在转运过程中，用生理盐水连续冲洗每只眼睛……。不要使用催吐剂。对于摄入，如果患者能吞咽、有强烈的干呕反射且不流口水，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……。/刺激性材料/

Basic Treatment: Establish a patent airway. Suction if necessary. Encourage patient to take deep breaths. Watch for signs of respiratory insufficiency and assist ventilations if necessary. 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 normal saline 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 ... . /Irritating materials/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

高级治疗：对于昏迷、严重肺水肿或呼吸停止的患者，考虑进行口对口或鼻对鼻气管插管以控制气道。在上呼吸道阻塞的第一个迹象出现时，可能需要早期插管。使用气囊面罩装置的正压通气技术可能有益。监测心率和必要时治疗心律失常... 开始静脉输液，使用D5W/SRP：“保持开放”，最低流速... 如果出现低血容量的迹象，使用乳酸钠林格液。注意液体过载的迹象。考虑使用药物治疗肺水肿... 用地西泮（安定）治疗癫痫... 使用丙美卡因氢氯化物协助眼部冲洗... /刺激物/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Early intubation at the first sign of upper airway obstruction may be necessary. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . Treat seizures with diazepam (Valium) ... Use proparacaine hydrochloride to assist eye irrigation ... . /Irritating materials/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

人类暴露研究/皮肤：从据报道能引起过敏性接触性皮炎的植物Schefflera arboricola中，分离并确定了过敏性接触性皮炎的诱因为falcarinol，即十七烷-1,9-(Z)-二烯-4,6-二炔-3-醇。同时测试了与falcarinol密切相关的三种聚乙炔，分别为falcarindiol、falcarinone和dehydrofalcarinone。在一位38岁的女性苗圃工人身上，falcarinol引起了过敏性接触性皮炎，而falcarindiol、falcarinone和dehydrofalcarinone则没有引起。

/HUMAN EXPOSURE STUDIES/ Skin: From the plant Schefflera arboricola, which has been reported to cause allergic contact dermatitis, ... the elicitor of allergic contact dermatitis /was isolated and determined to be/ falcarinol, heptadeca-1,9(Z)-diene-4,6-diyne-3-ol. Three polyacetylenes closely related to falcarinol, namely falcarindiol, falcarinone and dehydrofalcarinone were tested simultaneously. Falcarinol, but not falcarindiol, falcarinone and dehydrofalcarinone, elicited allergic contact dermatitis in a 38-year-old female plant-nursery worker.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

人类暴露研究/实验和化学调查发现，常春藤（Hedera helix susp. helix）含有3种化合物，这些化合物是强烈的刺激物和中等程度的致敏物。其中只有2种成分，falcarinol和didehydrofalcarinol，在整年中都存在于植物中。除了人参（Panax ginseng）和鹅掌柴（Schefflera arboricola）之外，这是第三个被发现含有这些聚乙炔致敏剂的五加科植物。Falcarinol和didehydrofalcarinol也出现在常春藤的加那利亚种（Hedera helix subsp. canariensis）中。已经对4名患者进行了贴片测试。即使在低浓度（0.03%）下，主要过敏原falcarinol也能在所有受试者中引起强烈反应。其中一名作者在调查期间变得敏感。

/HUMAN EXPOSURE STUDIES/ Experimental and chemical investigations revealed that common ivy (Hedera helix susp. helix) contains 3 compounds which are powerful irritants and moderate sensitizers. Only 2 of these constituents, falcarinol and didehydrofalcarinol, are present in the plant during the whole year. Besides Panax ginseng and Schefflera arboricola, this is the third species of the Araliaceae in which these polyacetylenic sensitizers have been found. Falcarinol and didehydrofalcarinol also occur in Hedera helix subsp. canariensis. 4 patients have been patch tested. Even in low concentrations (0.03%), the main allergen falcarinol elicited strong reactions in all of them. One of the authors became sensitized during the investigations.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

在5%从常春藤 Hedera helix 中提取的falcarinol的人类最大剂量测试中，20名受试者中有10名产生了敏感反应。没有受试者对5%产生刺激反应，10名对1%变得敏感，7名对0.05%变得敏感，其中3名产生了3+到4+的大疱反应。

/HUMAN EXPOSURE STUDIES/ In a human maximization test of 5% falcarinol isolated from Hedera helix, 10 of 20 subjects were sensitized. No subjects gave irritant reactions to 5%, 10 became sensitive to 1%, and 7 to 0.05%, with 3 of these giving 3+ to 4+ bullous reactions.

来源:Hazardous Substances Data Bank (HSDB)