2-[[2-[bis(carboxymethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;gadolinium(3+)

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[[2-[bis(carboxymethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;gadolinium(3+)
• 化学式: C23H33GdN3O11+3
• 分子量: 684.8
• InChiKey: PCZHWPSNPWAQNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.67
• 重原子数：
  38
• 可旋转键数：
  20
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  205
• 氢给体数：
  5
• 氢受体数：
  14

ADMET

毒理性

• 在妊娠和哺乳期间的影响

◉ 母乳喂养期间使用总结：目前没有关于母乳喂养期间使用钆塞酸二钠的已发表经验。北美专业组织制定的指南指出，哺乳期母亲接受含钆对比剂后，无需中断母乳喂养。然而，由于没有关于母乳喂养期间使用钆塞酸二钠的已发表经验，其他药物可能是更好的选择，特别是在哺乳新生儿或早产儿时。 ◉ 对哺乳婴儿的影响：截至修订日期，未找到相关的已发表信息。 ◉ 对泌乳和母乳的影响：截至修订日期，未找到相关的已发表信息。

◉ Summary of Use during Lactation:There is no published experience with gadoxetate during breastfeeding. Guidelines developed by North American professional organizations state that breastfeeding need not be disrupted after a nursing mother receives a gadolinium-containing contrast medium. However, because there is no published experience with gadoxetate during breastfeeding, other agents may be preferred, especially while nursing a newborn or preterm infant. ◉ 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)