达福普丁甲磺酸复合物 | 126602-89-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 中文名称: 达福普丁甲磺酸复合物
• 中文别名: N-{2-[{4-氯-2-[(2-氯苯基)羰基]苯基}(甲基)氨基]-2-羰基乙基}丁酰胺
• 英文名称: Quinupristin-dalfopristin
• 英文别名: N-[(3S,6S,12R,15S,16R,19S,25R)-25-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide;(6R,7S,10R,11R,12E,17E,19E,21S)-6-[2-(diethylamino)ethylsulfonyl]-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone
• CAS: 126602-89-9
• 化学式: C87H117N13O19S2
• 分子量: 1713.1
• InChiKey: PPKJUHVNTMYXOD-GKSTYDNOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.59
• 重原子数：
  121
• 可旋转键数：
  17
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  441
• 氢给体数：
  6
• 氢受体数：
  25

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：奎奴普丁和达福普丁是相对较大的分子，不太可能大量排入母乳中，也不太可能被哺乳的婴儿口服吸收。然而，由于缺乏关于在哺乳期间使用奎奴普丁和达福普丁的信息，可能更倾向于使用其他药物，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，未找到相关的已发布信息。 ◉ 对泌乳和母乳的影响：截至修订日期，未找到相关的已发布信息。

◉ Summary of Use during Lactation:Quinupristin and dalfopristin are relatively large molecules that are unlikely to be excreted into breastmilk in large amounts or to be absorbed orally by the breastfeeding infant. However, since no information is available on the use of quinupristin and dalfopristin during breastfeeding, an alternate drug 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)