Dihydroergotamin | 511-12-6

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 麦角林及其衍生物
• 英文名称: Dihydroergotamin
• 英文别名: Ergotaminin；5'-benzyl-12'-hydroxy-2'-methyl-9,10-dihydro-ergotamane-18,3',6'-trione；Dihydroegotamine；N-(7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
• CAS: 511-12-6；5550-75-4；74867-31-5；83541-18-8；134526-16-2
• 化学式: C₃₃H₃₇N₅O₅
• 分子量: 583.687
• InChiKey: LUZRJRNZXALNLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  43
• 可旋转键数：
  4
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  118
• 氢给体数：
  3
• 氢受体数：
  6

ADMET

毒理性

• 在妊娠和哺乳期间的影响

使用期间对哺乳的影响：目前没有关于哺乳期间使用双氢麦角胺的临床信息。由于它可能会对婴儿产生不良影响并减少乳汁供应，大多数权威机构认为在哺乳期间禁用麦角胺。双氢麦角胺鼻喷剂的制造商建议，哺乳期母亲在治疗期间不应哺乳，并在最后一剂后的3天内也不应哺乳。在此期间泵出的任何乳汁都应丢弃。 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：截至修订日期，没有找到相关的已发布信息。

◉ Summary of Use during Lactation:No information is available on the clinical use of dihydroergotamine during breastfeeding. Because it might cause adverse effects in the infant and decrease the milk supply, most authorities consider ergotamine to be contraindicated during nursing. The manufacturer of the dihydroergotamine nasal spray recommends that nursing mother should not breastfeed during treatment and for 3 days after the last dose. Any milk that is pumped during this time should be discarded. ◉ Effects in Breastfed Infants:Relevant published information was not found as of the revision date. ◉ Effects on Lactation and Breastmilk:Relevant published information was not found as of the revision date.

来源:Drugs and Lactation Database (LactMed)

文献信息

• Compounds that inhibit cholinesterase
  申请人：Rupniak Nadia M. J.

  公开号：US20080261950A1

  公开（公告）日：2008-10-23

  Compounds that inhibit cholinesterase activity and, upon hydrolysis release a pharmacologically active agent. The compounds of the invention are employed in methods to treat an individual. The pharmacologically active agent obtained by hydrolysis of the compound can treat, for example, a nervous system condition, a cholinergic deficiency and conditions or diseases associated with a deficiency in a pharmacologically active agent, such as acetylcholine.
• US8101782B2
  申请人：——

  公开号：US8101782B2

  公开（公告）日：2012-01-24