(2beta,3alpha,5alpha,16beta,17beta)-3,17-二乙酰氧基-16-(1-甲基-1-哌啶鎓基)-2-(1-哌啶基)雄甾烷 | 86029-43-8

• 物质功能分类: 原料药 - 麻醉剂 - 骨骼肌松弛药
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 中文名称: (2beta,3alpha,5alpha,16beta,17beta)-3,17-二乙酰氧基-16-(1-甲基-1-哌啶鎓基)-2-(1-哌啶基)雄甾烷
• 中文别名: 维拉西酶α
• 英文名称: Vecuronium
• 英文别名: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
• CAS: 86029-43-8
• 化学式: C34H57N2O4+
• 分子量: 557.8
• InChiKey: BGSZAXLLHYERSY-XQIGCQGXSA-N

物化性质

• 物理描述：
  Solid
• 熔点：
  228 °C
• 溶解度：
  1.86e-05 g/L

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  5

ADMET

代谢

百分之百

100%

来源:DrugBank

毒理性

• 药物性肝损伤

化合物的名称：维库溴铵

Compound:vecuronium

来源:Drug Induced Liver Injury Rank (DILIrank) Dataset

毒理性

• 药物性肝损伤

DILI 注解：无 DILI（药物性肝损伤）担忧

DILI Annotation:No-DILI-Concern

来源:Drug Induced Liver Injury Rank (DILIrank) Dataset

毒理性

• 药物性肝损伤

标签部分：无匹配

Label Section:No match

来源:Drug Induced Liver Injury Rank (DILIrank) Dataset

毒理性

• 药物性肝损伤

参考文献：M Chen, V Vijay, Q Shi, Z Liu, H Fang, W Tong. 用于研究药物诱导肝损伤的FDA批准药物标签，药物发现今天，16(15-16):697-703, 2011. PMID:21624500 DOI:10.1016/j.drudis.2011.05.007 M Chen, A Suzuki, S Thakkar, K Yu, C Hu, W Tong. DILIrank：按发展药物诱导人类肝损伤风险排名的最大参考药物清单。药物发现今天 2016, 21(4): 648-653. PMID:26948801 DOI:10.1016/j.drudis.2016.02.015

References:M Chen, V Vijay, Q Shi, Z Liu, H Fang, W Tong. FDA-Approved Drug Labeling for the Study of Drug-Induced Liver Injury, Drug Discovery Today, 16(15-16):697-703, 2011. PMID:21624500 DOI:10.1016/j.drudis.2011.05.007 M Chen, A Suzuki, S Thakkar, K Yu, C Hu, W Tong. DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans. Drug Discov Today 2016, 21(4): 648-653. PMID:26948801 DOI:10.1016/j.drudis.2016.02.015

来源:Drug Induced Liver Injury Rank (DILIrank) Dataset

毒理性

• 在妊娠和哺乳期间的影响

◉ 母乳喂养期间使用总结：目前没有关于维库溴铵在哺乳期使用的资料。由于它作用时间短、极性高且口服吸收不良，因此不太可能以高浓度进入母乳或进入婴儿的血液循环。当使用多种麻醉剂组合进行手术时，请遵循手术期间使用的最具问题的药物的建议。使用维库溴铵作为组成部分的全身麻醉进行剖宫产可能会延迟哺乳的开始。 ◉ 对哺乳婴儿的影响：截至修订日期，没有找到相关的已发布信息。 ◉ 对泌乳和母乳的影响：一项随机研究比较了使用全身麻醉、脊髓麻醉或硬脊膜外麻醉进行剖宫产与正常阴道分娩对血清催乳素和催产素的影响以及开始泌乳的时间。全身麻醉使用丙泊酚2 mg/kg和罗库溴铵0.6 mg/kg进行诱导，随后根据需要使用七氟醚和罗库溴铵0.15 mg/kg。分娩后，所有组的患者接受了1 L盐水中的催产素30国际单位输注，如果她们不是高血压，则额外给予0.2 mg的甲基麦角新碱。全身麻醉组在分娩后给予芬太尼1至1.5 mcg/kg。全身麻醉组（n = 21）的术后催乳素水平高于其他组，开始泌乳的平均时间也较长（25小时），而其他组为10.8至11.8小时。未用药阴道分娩组产后的催产素水平高于全身和脊髓麻醉组。

◉ Summary of Use during Lactation:No information is available on the use of vecuronium during breastfeeding Because it is short acting, highly polar and poorly absorbed orally, it is not likely to reach the breastmilk in high concentration or to reach the bloodstream of the infant. When a combination of anesthetic agents is used for a procedure, follow the recommendations for the most problematic medication used during the procedure. General anesthesia for cesarean section using vecuronium as a component may delay the onset of lactation. ◉ Effects in Breastfed Infants:Relevant published information was not found as of the revision date. ◉ Effects on Lactation and Breastmilk:A randomized study compared the effects of cesarean section using general anesthesia, spinal anesthesia, or epidural anesthesia, to normal vaginal delivery on serum prolactin and oxytocin as well as time to initiation of lactation. General anesthesia was performed using propofol 2 mg/kg and rocuronium 0.6 mg/kg for induction, followed by sevoflurane and rocuronium 0.15 mg/kg as needed. After delivery, patients in all groups received an infusion of oxytocin 30 international units in 1 L of saline, and 0.2 mg of methylergonovine if they were not hypertensive. Fentanyl 1 to 1.5 mcg/kg was administered after delivery to the general anesthesia group. Patients in the general anesthesia group (n = 21) had higher post-procedure prolactin levels and a longer mean time to lactation initiation (25 hours) than in the other groups (10.8 to 11.8 hours). Postpartum oxytocin levels in the nonmedicated vaginal delivery group were higher than in the general and spinal anesthesia groups.

来源:Drugs and Lactation Database (LactMed)

吸收、分配和排泄

• 消除途径

粪便（40-75%）和肾脏（30%以原药和代谢物形式）

Fecal (40-75%) and renal (30% as unchanged drug and metabolites)

来源:DrugBank

文献信息

• [EN] ACYCLIC CUCURBIT(N)URIL TYPE MOLECULAR CONTAINERS TO TREAT INTOXICATION AND DECREASE RELAPSE RATE IN SUBSTANCE ABUSE DISORDERS<br/>[FR] RECIPIENTS MOLECULAIRES DE TYPE CUCURBIT(N)URIL ACYCLIQUE POUR TRAITER L'INTOXICATION ET REDUIRE LE TAUX DE RECHUTE DANS DES TROUBLES DE TOXICOMANIE
  申请人：UNIV MARYLAND

  公开号：WO2016061571A1

  公开（公告）日：2016-04-21

  Provided are methods for reversing the effects of drugs of abuse. The method involves administering acyclic CB[n]-type compounds to a mammal in need of the reversal of the effects from a drug of abuse.

  提供了逆转药物滥用效果的方法。该方法涉及向需要逆转药物滥用效果的哺乳动物施用非环CB[n]型化合物。
• Active agent delivery systems and methods for protecting and administering active agents
  申请人：Mickle Travis

  公开号：US20070232529A1

  公开（公告）日：2007-10-04

  The present invention relates to active agent delivery systems and more specifically to compositions that comprise amino acids, as single amino acids or peptides, covalently attached to active agents and methods for administering conjugated active agent compositions.

  本发明涉及活性物质输送系统，更具体地涉及包含氨基酸（作为单个氨基酸或肽）与活性物质共价连接的组合物以及用于给予共轭活性物质组合物的方法。
• ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS
  申请人：Mickle Travis

  公开号：US20090253792A1

  公开（公告）日：2009-10-08

  The present invention relates to active agent delivery systems and more specifically to compositions that comprise amino acids, as single amino acids or peptides, covalently attached to active agents and methods for administering conjugated active agent compositions.

  本发明涉及活性剂递送系统，更具体地涉及包含氨基酸（作为单个氨基酸或肽）与活性剂共价连接的组合物以及给予共轭活性剂组合物的方法。
• ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS
  申请人：Mickle Travis

  公开号：US20090306228A1

  公开（公告）日：2009-12-10

  The present invention relates to active agent delivery systems and more specifically to compositions that comprise amino acids, as single amino acids or peptides, covalently attached to active agents and methods for administering conjugated active agent compositions.

  本发明涉及活性剂递送系统，更具体地涉及包含氨基酸，作为单个氨基酸或肽，与活性剂共价结合的组合物以及用于给予共轭活性剂组合物的方法。
• REVERSAL OF DRUG-INDUCED NEUROMUSCULAR BLOCK USING NOVEL CUCURBIT[n]URIL MOLECULAR CONTAINERS
  申请人：University of Maryland, College Park

  公开号：EP2627641B1

  公开（公告）日：2016-01-20