Trospium

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Trospium
• 英文别名: [(1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate
• 化学式: C25H30NO3+
• 分子量: 392.5
• InChiKey: OYYDSUSKLWTMMQ-AIZNXBIQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

ADMET

代谢

没有完整定义

Not fully defined

来源:DrugBank

毒理性

• 肝毒性

在针对患有膀胱过度活动综合症的患者进行的几项大型前瞻性临床试验中，与安慰剂治疗相比，托斯皮乌姆并未与血清转氨酶升高的增加率有关联。此外，尽管托斯皮乌姆已经有近50年的临床使用历史，但尚未有报告称黄疸或临床上明显的肝损伤归因于托斯皮乌姆治疗。因此，如果托斯皮乌姆确实导致有症状的肝损伤或黄疸，这种情况一定非常罕见。

In several large prospective clinical trials in patients with overactive bladder syndrome, trospium was not associated with an increased rate of serum aminotransferase elevations as compared to placebo therapy. Furthermore, despite almost 50 years of clinical use, there have been no case reports of jaundice or clinically apparent liver injury attributed to trospium therapy. Thus, liver injury with symptoms or jaundice due to trospium must be very rare if it occurs at all.

来源:LiverTox

毒理性

• 药物性肝损伤

药物名称：托斯皮尤姆

Compound:trospium

来源:Drug Induced Liver Injury Rank (DILIrank) Dataset

毒理性

• 药物性肝损伤

DILI 注释：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，药物发现今日，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：按在人类中发展药物诱导肝损伤风险排名的最大参考药物清单。药物发现今日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

吸收、分配和排泄

• 吸收

9.6%

9.6%

来源:DrugBank

吸收、分配和排泄

• 消除途径

在口服14C-曲司氯后，大部分剂量（85.2%）在粪便中回收，而较小的一部分（5.8%的剂量）在尿液中回收；尿液中有60%的放射性物质未发生变化的曲司氯。曲司氯主要通过主动肾小管分泌途径消除，这由平均肾清除率29.07升/小时所表明，该清除率大约是平均肾小球滤过率的4倍。曲司氯通过酯水解代谢，并通过肾小管分泌和肾小球滤过相结合的方式由肾脏排出。

After administration of oral 14C-trospium chloride, the majority of the dose (85.2%) was recovered in feces and a smaller amount (5.8% of the dose) was recovered in urine; 60% of the radioactivity excreted in urine was unchanged trospium. Trospium mainly undergoes elimination via active tubular secretion, as indicated by the mean renal clearance of 29.07 L/hour, which is about 4-fold higher than average glomerular filtration rate. Trospium is metabolized by ester hydrolysis and excreted by the kidneys by a combination of tubular secretion and glomerular filtration.

来源:DrugBank

吸收、分配和排泄

• 分布容积

395 ± 140 升

395 ± 140 L

来源:DrugBank

吸收、分配和排泄

• 清除

肾清除率=29.07升/小时

Renal cl=29.07 L/hour

来源:DrugBank