diaminomethylidene-[(3-(123I)iodanylphenyl)methyl]azanium;sulfate | 139755-80-9

• 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: diaminomethylidene-[(3-(123I)iodanylphenyl)methyl]azanium;sulfate
• CAS: 139755-80-9
• 化学式: C16H22I2N6O4S
• 分子量: 640.3
• InChiKey: XNACDNPGABUBFR-FKNPGSCZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.48
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  212
• 氢给体数：
  6
• 氢受体数：
  6

ADMET

代谢

代谢成m-碘马尿酸和游离放射性碘化物 [FDA 标签]。对碘代苯甲酸I-123的代谢以及涉及的酶尚未进行充分研究。

Metabolized to m-iodohippuric acid and free radioiodide [FDA Label]. The metabolism of iobenguane I-123 and the enzymes involved has not been well studied.

来源:DrugBank

毒理性

• 毒性总结

作为放射性药物，碘苄胍 I-123 如果以不适当的大剂量给药，或者在肾功能不足的患者中使用，存在辐射毒性的风险 [FDA 标签]。鼓励频繁排尿以最小化对膀胱的辐射剂量。

As a radiopharmaceutical, iobenguane I-123 carries the risk of radiation toxicity if administered in innappropriately large doses or in patients with renal insufficency [FDA Label]. Fequent voiding of the bladder is encouraged to minimize the radiation dose to the bladder.

来源:DrugBank

吸收、分配和排泄

• 消除途径

主要通过尿液以原型化合物（70-90%）[FDA 标签]排出。一小部分以m-碘马尿酸（小于10%）和游离放射性碘（小于6%）的形式通过尿液排出。小于1%通过粪便排出。碘代苄胍 I-123 最初迅速从循环中清除，随后在4天内从其他组织中缓慢清除。在肾上腺髓质、心脏和唾液腺等高度肾上腺素能神经支配的组织中保留时间最长。碘代苄胍 I-123 不通过透析清除。

Primarily eliminated via the urine as the parent compound (70-90%) [FDA Label]. A small amount is eliminated in the urine as m-iodohippuric acid (</10%) and free radioiodide (</6%). Less than 1% is eliminated in the feces. Iobenguane I-123 is initially rapidly cleared from circulation follwed by a slow clearance from other tissues over 4 days. Retention is the longest in highly adrenergically inervated tissues like the adrenal medulla, heart, and salivary glands. Iobenguane I-123 is not cleared by dialysis.

来源:DrugBank