16034-77-8

• 常用中文名：碘西他酸
• 常用英文名：iocetamic acid (200 mg)
• CAS号：16034-77-8
• 分子式：C₁₂H₁₃I₃N₂O₃
• 分子量：613.95700
• 相关类别： 原料药 诊断用药 影象检查用药
• 发布时间：2018-06-24 15:27:09
• 更新时间：2024-01-10 11:43:49
• 胆盐水(DRC 1201)是一种诊断辅助剂,是一种口服活性造影剂[1]。

名称

• 中文名: 碘西他酸
• 英文名: 3-(N-acetyl-3-amino-2,4,6-triiodoanilino)-2-methylpropanoic acid
• 中文别名: 3-(N-(3-氨基-2,4,6-三碘苯基)乙酰氨基)-2-甲基丙酸
• 英文别名: Cholimil; DRC 1201; Acide iocetamique [INN-French]; N-(3-amino-2,4,6-triiodophenyl)-3-acetamido-2-methyl-propionic acid; Colebrina; IOCETAMIC ACID; Acidum jocetamicum; Iocetamsaeure; Acidum iocetamicum [INN-Latin]; Cholebrine; Acido iocetamico [INN-Spanish]

物化性质

• 密度: 2.416g/cm3
• 沸点: 658.2ºC at 760 mmHg
• 熔点: 224-225ºC
• 分子式: C₁₂H₁₃I₃N₂O₃
• 分子量: 613.95700
• 闪点: 351.9ºC
• 精确质量: 613.80600
• PSA: 83.63000
• LogP: 3.73740
• 蒸汽压: 3.21E-18mmHg at 25°C
• 折射率: 1.75
• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.6

  2.氢键供体数量:2

  3.氢键受体数量:4

  4.可旋转化学键数量:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积:83.6

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:383

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:1

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

生物活性

• 描述: 胆盐水(DRC 1201)是一种诊断辅助剂,是一种口服活性造影剂[1]。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他
• 体内研究: 胆盐水在大鼠中 LD50型为 7克/千克(口服) 和 0.7克/千克(静脉注射)[2].
• 参考文献:

  [1]. Owen JP, et al. Comparative study of iocetamic acid and calcium ipodate in the visualisation of the gallbladder and common bile duct. Clin Radiol. 1978 Sep;29(5):535-40.

  [2]. Janbroers JM, et al. Toxicologic studies of iocetamic acid in rats and dogs. Toxicol Appl Pharmacol. 1969 Mar;14(2):242-8.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : UE6050000 CHEMICAL NAME : Propionic acid, 3-(acetyl-(3-amino-2,4,6-triiodophenyl)amino)-2-methy l- CAS REGISTRY NUMBER : 16034-77-8 LAST UPDATED : 199612 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C12-H13-I3-N2-O3 MOLECULAR WEIGHT : 613.97 WISWESSER LINE NOTATION : ZR BI DI FI CNV1&1Y1&VQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 7100 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - acute pulmonary edema Gastrointestinal - other changes REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,232,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 700 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - acute pulmonary edema Gastrointestinal - other changes REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,232,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 410 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,997,1970 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6131 No. of Facilities: 10 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 260 (estimated) No. of Female Employees: 140 (estimated)

安全

• 海关编码: 2924299090

海关

海关编码	2924299090
中文概述	2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 包装
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%