577-91-3

• 常用中文名：碘阿芬酸
• 常用英文名：Pheniodol
• CAS号：577-91-3
• 分子式：C₁₅H₁₂I₂O₃
• 分子量：494.06300
• 相关类别： 原料药 诊断用药 影象检查用药
• 发布时间：2018-04-12 08:00:00
• 更新时间：2025-08-25 23:58:03
• Iodoalphionic acid is a biochemical.

名称

• 中文名: 碘阿芬酸
• 英文名: 3-(4-hydroxy-3,5-diiodophenyl)-2-phenylpropanoic acid
• 中文别名: 3-(4-羟基-3,5-二碘苯基)-2-苯丙酸
• 英文别名: 3-(3.5-Dijod-4-hydroxy-phenyl)-2-phenyl-propionsaeure; 3-(4-hydroxy-3,5-diiodo-phenyl)-2-phenyl-propionic acid; Coletrast; Biliselectan; Jodobil; 3-(4-Hydroxy-3,5-diiodo-phenyl)-2-phenyl-propanoic acid; 3-(4-Hydroxy-3,5-dijod-phenyl)-2-phenyl-propionsaeure; Biliognost; Bilitrast; Biselectan; 2-Phenyl-3-(3,5-dijod-4-hydroxy-phenyl)-propionsaeure; Iodoalphionic acid; Pheniodol; Biliselktan; Iodobil

物化性质

• 密度: 2.081g/cm3
• 沸点: 439ºC at 760 mmHg
• 熔点: 164°C
• 分子式: C₁₅H₁₂I₂O₃
• 分子量: 494.06300
• 闪点: 219.3ºC
• 精确质量: 493.88800
• PSA: 57.53000
• LogP: 4.01230
• 折射率: 1.724
• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.3

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:4

  5.互变异构体数量:2

  6.拓扑分子极性表面积:57.5

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:319

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : MW5150000 CHEMICAL NAME : Hydrocinnamic acid, 3,5-diiodo-4-hydroxy-alpha-phenyl- CAS REGISTRY NUMBER : 577-91-3 BEILSTEIN REFERENCE NO. : 2700381 LAST UPDATED : 199612 DATA ITEMS CITED : 10 MOLECULAR FORMULA : C15-H12-I2-O3 MOLECULAR WEIGHT : 494.07 WISWESSER LINE NOTATION : QVYR&1R DQ CI EI 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 : 1100 mg/kg TOXIC EFFECTS : Behavioral - muscle weakness Behavioral - muscle contraction or spasticity REFERENCE : KLWOAZ Klinische Wochenscrift. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.1- 1922- Volume(issue)/page/year: 20,125,1941 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 510 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - antipsychotic Lungs, Thorax, or Respiration - dyspnea REFERENCE : JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 42,476,1953 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 540 mg/kg TOXIC EFFECTS : Behavioral - muscle weakness Behavioral - muscle contraction or spasticity REFERENCE : KLWOAZ Klinische Wochenscrift. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.1- 1922- Volume(issue)/page/year: 20,125,1941 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 390 mg/kg TOXIC EFFECTS : Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - dyspnea REFERENCE : KLWOAZ Klinische Wochenscrift. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.1- 1922- Volume(issue)/page/year: 20,125,1941 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2950 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - antipsychotic Lungs, Thorax, or Respiration - dyspnea REFERENCE : JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 42,476,1953 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 640 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - antipsychotic Lungs, Thorax, or Respiration - dyspnea REFERENCE : JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 42,476,1953 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 400 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 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 500 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - food intake (animal) Gastrointestinal - nausea or vomiting REFERENCE : JLCMAK Journal of Laboratory and Clinical Medicine. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63141) V.1- 1915- Volume(issue)/page/year: 27,1376,1942 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 100 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Vascular - BP lowering not characterized in autonomic section Lungs, Thorax, or Respiration - respiratory depression REFERENCE : JLCMAK Journal of Laboratory and Clinical Medicine. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63141) V.1- 1915- Volume(issue)/page/year: 27,1376,1942 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 930 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - antipsychotic Lungs, Thorax, or Respiration - dyspnea REFERENCE : JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 42,476,1953

安全

• 海关编码: 2918290000

海关

海关编码	2918290000
中文概述	2918290000 其他含酚基但不含其他含氧基羧酸及其酸酐、酰卤化物、过氧化物和过氧酸及它们的衍生物。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。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
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验
Summary	HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%