sodium fluoride

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 碱金属盐
• 英文名称: sodium fluoride
• 英文别名: fluorosodium；sodium;fluoride
• 化学式: FNa
• 分子量: 41.9882
• InChiKey: PUZPDOWCWNUUKD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -5.99
• 重原子数：
  2
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

ADMET

代谢

几个因素可能会影响氟化钠的新陈代谢。这些因素包括酸碱平衡紊乱、昼夜节律、血细胞比容水平、高海拔或低海拔、体育活动水平、激素状态、肾功能、遗传倾向以及饮食。

Several factors can affect the metabolism of sodium fluoride. These include disorders of acid-base balance, circadian rhythm, hematocrit level, high or low altitude, the level physical activity, hormonal status, renal function, genetic predispositions in addition to the diet.

来源:DrugBank

毒理性

• 致癌性证据

国际癌症研究机构工作组得出结论，氟化钠（第3组）在人类致癌性方面无法分类。/氟化钠已由国际癌症研究机构工作组审查。关于它的数据发表在国际癌症研究机构关于氟化钠的专著中。没有给出氟化钠的致癌性评估；氟化物（无机，用于饮用水中）。

The IARC Working Group concluded that sodium fluoride (Group 3) are not classifiable as to their carcinogenicity to humans. /Sodium fluoride was reviewed by the IARC Working Group. Data for it are published in the IARC Monograph on sodium fluoride. No evaluation of the carcinogenicity for sodium fluoride is given; Fluorides (inorganic, used in drinking-water/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

A4：无法归类为人类致癌物。/氟化物，如F/

A4: Not classifiable as a human carcinogen. /Fluorides, as F/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

基本治疗：建立专利气道（如有需要，使用口咽或鼻咽气道）。必要时进行抽吸。观察呼吸不足的迹象，必要时协助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测肺水肿并视必要进行治疗……。监测休克并视必要进行治疗……。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，则用水冲洗口腔并给予5毫升/千克，最多200毫升的水。不要尝试中和，因为可能会发生放热反应。在去污染后，用干燥的、无菌的敷料覆盖皮肤烧伤……。/氢氟酸（HF）及其相关化合物/

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 necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary for edema and treat if necessary ... . Monitor for shock 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 if the patient can swallow, has a strong gag reflex, and does not drool. Do not attempt to neutralize because of exothermic reaction. Cover skin burns with dry, sterile dressings after decontamination ... . /Hydrofluoric Acid (HF) and Related Compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

高级治疗：对于昏迷患者、严重肺水肿患者或严重呼吸窘迫的患者，考虑进行口咽或鼻咽气管插管以控制气道。考虑使用药物疗法治疗肺水肿...。在上呼吸道阻塞的第一个迹象出现时，可能需要尽早进行气管插管。使用气囊面罩装置的正压通气可能有益。考虑使用药物疗法治疗肺水肿...。监测心率和必要时治疗心律失常。QT间期延长可能表示低钙血症，并需要静脉注射葡萄糖酸钙...。开始静脉输注D5W/SRP："保持通路开放"，最小流量/。如果出现低血容量的迹象，使用0.9%盐水（NS）或乳酸钠林格液（LR）。对于伴有低血容量迹象的低血压，谨慎给予液体。如果患者血容量正常但出现低血压，考虑使用血管加压药。注意观察液体过载的迹象...。在彻底清洗后，在疼痛区域使用2.5%葡萄糖酸钙凝胶治疗皮肤烧伤...。冰镇的0.13%苯扎氯铵（洁尔灭氯）溶液浸泡或湿敷可用于仔细监测体温。湿敷应每2分钟更换一次。使用丙美卡因氢氯化物协助眼部冲洗...。/氢氟酸（HF）及相关化合物/

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. Consider drug therapy for pulmonary edema ... . Early intubation at the first sign of upper airway obstruction may be necessary. Positive-pressure ventilation with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Monitor cardiac rhythm and treat arrhythmias as necessary. Development of QT interval prolongation may signal hypocalcemia and need for IV calcium gluconate administration ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Use 2.5% calcium gluconate gel for skin burns over painful areas after thorough decontamination ... . Iced 0.13% benzalkonium chloride (Zephiran chloride) solution soak or compresses may be used with careful monitoring of body temperature. Compresses should be changed every 2 min. Use proparacaine hydrochloride to assist eye irrigation ... . /Hydrofluoric Acid (HF) and Related Compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 暴露途径

该物质可以通过吸入其气溶胶和通过吞食被吸收进人体。

The substance can be absorbed into the body by inhalation of its aerosol and by ingestion.

来源:ILO-WHO International Chemical Safety Cards (ICSCs)

吸收、分配和排泄

• 吸收

氟化钠从胃肠道吸收率为90%，其中77%在上段小肠吸收，大约25%在胃中吸收。吸收速率可能会根据胃pH值的不同而有所变化。摄入后20-60分钟达到Cmax（最高血药浓度），估计Cmax为848 ± 116 ng/mL，在摄入20毫克氟化钠溶液后，Tmax（达到最高血药浓度的时间）为0.46 ± 0.17小时。在一项药代动力学研究中，空腹状态下给药的氟化钠片剂的生物利用度接近100%。另一资源报告称，摄入氟化水后，氟化钠的AUC（血药浓度-时间曲线下面积）为1.14 ± 0.12 μg × h/mL。

Sodium fluoride is 90% absorbed from the gastrointestinal tract, with 77% of absorption in the proximal intestine and about 25% in the stomach. The rate of absorption may vary according to gastric pH. Cmax is reached 20-60 minutes after ingestion. Cmax was estimated to be 848 ± 116 ng/mL after a 20mg sodium fluoride solution was ingested, with a Tmax of 0.46 ± 0.17 hours. The bioavailability of sodium fluoride tablets administered in the fasted state during one pharmacokinetic study approached 100%. Another resource reports a sodium fluoride AUC of 1.14 ± 0.12 μg × h/mL after the ingestion of fluoridated water.

来源:DrugBank

吸收、分配和排泄

• 消除途径

氟化钠会迅速排泄，主要是通过尿液。大约90%的氟化物被肾小球过滤并由肾小管重吸收。大约10%通过粪便排出。

Sodium fluoride is rapidly excreted, mainly in the urine. About 90% of fluoride is filtered by the glomerulus and reabsorbed by the renal tubules. About 10% is excreted in the feces.

来源:DrugBank

吸收、分配和排泄

• 分布容积

氟化物分布在唾液、骨骼和牙齿中，也以较少的量存在于母乳和汗液中。摄入含氟化钠的饮用水后，氟化物离子被发现分布到血浆和血细胞中。血浆中氟化物浓度的水平是血细胞中浓度的两倍。成年人被发现能保留摄入氟化物的36%，儿童则被发现能保留约50%的剂量。大部分保留的氟化物集中在骨骼和牙齿中，1%积累在软组织中。氟化物能穿过胎盘和血脑屏障。中枢神经系统中氟化钠的浓度估计能达到血浆浓度的20%。在水中氟化物含量高的社区进行的研究没有显示出出生缺陷的增加。胎盘能够调节过量氟化物的积累，可能保护胎儿免受高浓度氟化物的影响。尽管如此，孕期过量接触氟化物可能会导致骨骼氟中毒。

Fluoride distributes to the saliva, bones, and teeth, and is also found in lesser quantities in the breastmilk and sweat. After the ingestion of sodium fluoridated drinking water, the fluoride ions are found to distribute to the plasma and blood cells. Plasma levels of fluoride concentrations are twice as the concentrations found in blood cells. Adults have been found to retain 36% of ingested fluoride and children have been found to retain about 50% of a dose. Most of the retained fluoride is localized to bone and teeth and 1% accumulates in soft tissues. Fluoride crosses the placenta and the blood-brain barrier. The central nervous system concentrations of sodium fluoride are estimated to reach 20% the plasma concentrations. Studies conducted in communities with high levels of fluoride in water did not show any increase in birth defects. The placenta is able to regulate the accumulation of excess fluoride, possibly protecting the fetus from high levels of fluoride. Despite this, excessively high exposure to fluoride in utero may lead to skeletal fluorosis.

来源:DrugBank

吸收、分配和排泄

• 清除

氟化钠会迅速通过肾脏清除，其清除速率取决于多种因素，包括肾小球滤过率、尿流量和尿液pH值。根据一项评估健康年轻成人口服氟化钠片剂药代动力学的临床研究，酸性尿液的肾清除率为77.4 ± 11.2毫升/分钟，碱性尿液的肾清除率为78.4 ± 6.9毫升/分钟。另一参考资料估计，从氟化钠水中清除氟离子的肾清除率为35-45毫升/分钟。

Sodium fluoride is rapidly cleared by the kidneys and depends on various factors, including glomerular filtration rate, urine flow, and urine pH. According to one clinical study evaluating the pharmacokinetics of oral sodium fluoride tablets in healthy young adults, the renal clearance was determined to be 77.4 ± 11.2mL/min for acidic urine and 78.4 ± 6.9mL/min for alkaline urine. Another reference estimates the renal clearance of fluoride ions from sodium fluoridated water at 35–45 mL/min.

来源:DrugBank

吸收、分配和排泄

在骨骼生长阶段，摄入的氟化物剂量中有相对较高的一部分会沉积在骨骼中。对于正在骨骼生长的婴儿和儿童，或者那些不饮用氟化水的个体，每天吸收的氟化物量中有高达75%可能会被并入骨骼组织。当给婴儿服用氟化物剂量（例如，氟化物片剂或用氟化水稀释的婴儿配方奶粉）时，保留量将与每千克体重的吸收氟化物剂量强烈相关：氟化物剂量越高，氟化物保留量越高。一项研究显示，给婴儿服用0.25毫克氟化物补充剂后，保留率高达80-90%。在一项针对23-27岁的成人的研究中，氟化物以单次静脉注射的形式给予，大约60%的注射剂量（3毫克氟化物作为氟化钠）被保留。

During the growth phase of the skeleton, a relatively high portion of an ingested fluoride dose will be deposited in the skeleton. In infants and children with skeletal growth or individuals not consuming fluoridated drinking-water, up to 75% of the daily amount of fluoride that is absorbed may be incorporated into skeletal tissue. When a fluoride dose (e.g., a fluoride tablet or an infant formula diluted with fluoridated drinking-water) is given to infants, the retention will be strongly correlated with the absorbed fluoride dose per kilogram body weight: the higher the fluoride dose, the higher the fluoride retention. Retention of fluoride following intake of a fluoride supplement of 0.25 mg given to infants was shown to be as high as 80-90%. In a study with adults (aged 23-27 years) in which fluoride was given as a single intravenous injection, about 60% of the injected dose (3 mg fluoride as sodium fluoride) was retained.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  sodium fluoride 生成 铝氟酸钠
  参考文献：
  名称：

  ZOSIN, A. P.;KOSHKINA, L. B.;PRIJMAK, T. I.;MARTYNOVA, T. F.;MASLOVA, A. +, FIZ.-XIM. OSNOVY PERERAB. I PRIMENENIYA MINERAL. SYRYA, APATITY,(1990) S.+

  摘要：

  DOI：
• 作为产物：
  描述：

  四氟化硅 生成 sodium fluoride
  参考文献：
  名称：

  SANCIER, KENNETH M.

  摘要：

  DOI：
• 作为试剂：
  描述：

  3-tert.-Butyl-4-phenyl-isochinolin 、 氢气 在 氧化铂 溶剂黄146 、 乙醚 、 sodium hydroxide 、 水 、 sodium fluoride 、 magnesium sulfate 、 petroleum ether 作用下， 以 溶剂黄146 为溶剂， 25.0 ℃ 、45.96 MPa 条件下， 以to give 3-tert.butyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline的产率得到3-tert-butyl-4-phenyl-1,2,3,4-tetrahydro-isoquinoline
  参考文献：
  名称：

  3-Substituted-4-aryl isoquinolines

  摘要：

  3-取代-4-芳基异喹啉，例如3-叔丁基-4-苯基-1,2,3,4-四氢异喹啉，是从相应的异喹啉中间体制备而成的，可用作抗糖尿病药物。

  公开号：

  US03989704A1

文献信息

• Process for the preparation of 5-fluoropyrimidines
  申请人：Bayer Aktiengesellschaft

  公开号：US05145961A1

  公开（公告）日：1992-09-08

  5-Fluoropyrimidines are obtained in an advantageous manner from halogenated 5-unsubstituted pyrimidines, when these are reacted with elemental fluorine in the presence of a solvent.

  通过在溶剂的存在下，将卤代的5-未取代嘧啶与元素氟反应，可以优势地获得5-氟嘧啶。
• Cephem compounds
  申请人：Fujisawa Pharmaceutical Company, Ltd.

  公开号：US05173485A1

  公开（公告）日：1992-12-22

  The invention relates to an antimicrobial compound of the formula: ##STR1## wherein R.sup.1 is amino or a protected amino group, R.sup.2 is lower alkyl, lower alkenyl, carboxy (lower) alkyl or protected carboxy(lower)alkyl, R.sup.3 is hydrogen, lower alkyl, hydroxy(lower)alkyl, protected hydroxy(lower)alkyl, amino(lower)alkyl, protected amino(lower)alkyl or lower alkanoyl, R.sup.4 is hydrogen, lower alkyl or lower alkylthio, and Z is N or CH or a pharmaceutically acceptable salt thereof.

  该发明涉及一种抗微生物化合物，其化学式为：##STR1## 其中R.sup.1为氨基或受保护的氨基基团，R.sup.2为低级烷基，低级烯基，羧基（低级）烷基或受保护的羧基（低级）烷基，R.sup.3为氢，低级烷基，羟基（低级）烷基，受保护的羟基（低级）烷基，氨基（低级）烷基，受保护的氨基（低级）烷基或低级酰基，R.sup.4为氢，低级烷基或低级烷基硫醚，Z为N或CH或其药学上可接受的盐。
• Novel bisamidate phosphonate prodrugs
  申请人：METABASIS THERAPEUTICS, INC.

  公开号：US20020173490A1

  公开（公告）日：2002-11-21

  Novel bisamidate phosphonate prodrugs of FBPase inhibitors of the Formula IA: 1 and their use in the treatment of diabetes and other conditions associated with elevated blood glucose.

  Novel bisamidate phosphonate prodrugs of FBPase inhibitors of the Formula IA:1及其在治疗糖尿病和其他与血糖升高有关的疾病中的应用。
• THERAPEUTIC NUCLEOSIDES
  申请人：——

  公开号：US20010008946A1

  公开（公告）日：2001-07-19

  The present invention relates to intermediates useful for the preparation of certain compounds, for example, purine carbocyclic nucleosides.

  本发明涉及一些中间体，用于制备某些化合物，例如嘌呤环核苷类化合物。
• 3-Substituted-3-fluoropyruvic acids and their esters and salts, and
  申请人：Daikan Kogyo Co., Ltd.

  公开号：US04390702A1

  公开（公告）日：1983-06-28

  A 3-substituted-3-fluoropyruvic acid and its ester and salt of the formula: ##STR1## wherein R is a lower alkyl group, a lower alkanoyl group, a fluorinated lower alkanoyl group, a substituted or unsubstituted phenyl group or a substituted or unsubstituted pyridyl group and R' is a hydrogen atom, an ester-forming residue or a salt-forming residue, and their production.

  一种化合物及其酯和盐的化学式为：##STR1## 其中 R 为低碳基、低碳酰基、氟代低碳酰基、取代或未取代苯基或取代或未取代吡啶基，R' 为氢原子、酯形成残基或盐形成残基。本发明涉及该化合物及其酯和盐的制备方法。

表征谱图