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5-(乙酰氨基)-N,N'-双(2,3-二羟基丙基)-2,4,6-三碘-1,3-苯二甲酰胺
5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
化合物简介
An intermediate used in the synthesis of imaging agents such as Iohexol.
基本信息
CAS:31127-80-7
中文别名:5-(乙酰氨基)-N,N’-双(2,3-二羟基丙基)-2,4,6-三碘-1,3-苯二甲酰胺;5-乙酰氨基-N,N\'-双(2,3-二羟基丙基)-2,4,6-三碘间苯二甲酰胺;5-乙酰氨基-N,N\'-双(2,3-二羟基丙基)-2,4,6-三碘-1,3-苯二甲酰胺;5-(乙酰氨基);
英文别名:5-Acetamido-N,N\'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide;5-Acetamido-2,4,6-Triiodo-N,N-(Dihydroxy Propyl) Isophthalamide;5-AcetaMido-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalaMide;Iohexol Related Compound A;5-Acetamido-2,4,6-triiodo-N,N\'-bis(2,3-dihydroxypropyl)-isophthalamide;5-Acetylamido-N,N’5-Acetamino-N,N\'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo;IOHEXOL INTERMEDIATE;5-(Acetamido)-N,N\'-bis(2,3-dihydroxypropyl)-2,4,6-triiono-1,3-benzenedicarboxami;HYDROLYSATE;5-acetamido-N,N\'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo-isophthalamide;5-Acetylamino-N,N\'-Bis(2,3-Dihydroxypropyl)-2,4,6-Triiodoisophthalamide;5-Acetamido-N,N\'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide;5-acetylamino-N1,N3-bis-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide;N,N\'-bis(2,3-dihydroxypropyl)-5-acetamido-2,4,6-triiodoisophthalamide;Iohexol impurity A;5-(acetylamino)-N,N\'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide;
分子式:C16H20I3N3O7
分子量:747.059
精确质量:746.844
Psa:168.22
Logp:0.4796
中文别名:5-(乙酰氨基)-N,N’-双(2,3-二羟基丙基)-2,4,6-三碘-1,3-苯二甲酰胺;5-乙酰氨基-N,N\'-双(2,3-二羟基丙基)-2,4,6-三碘间苯二甲酰胺;5-乙酰氨基-N,N\'-双(2,3-二羟基丙基)-2,4,6-三碘-1,3-苯二甲酰胺;5-(乙酰氨基);
英文别名:5-Acetamido-N,N\'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide;5-Acetamido-2,4,6-Triiodo-N,N-(Dihydroxy Propyl) Isophthalamide;5-AcetaMido-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalaMide;Iohexol Related Compound A;5-Acetamido-2,4,6-triiodo-N,N\'-bis(2,3-dihydroxypropyl)-isophthalamide;5-Acetylamido-N,N’5-Acetamino-N,N\'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo;IOHEXOL INTERMEDIATE;5-(Acetamido)-N,N\'-bis(2,3-dihydroxypropyl)-2,4,6-triiono-1,3-benzenedicarboxami;HYDROLYSATE;5-acetamido-N,N\'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo-isophthalamide;5-Acetylamino-N,N\'-Bis(2,3-Dihydroxypropyl)-2,4,6-Triiodoisophthalamide;5-Acetamido-N,N\'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide;5-acetylamino-N1,N3-bis-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide;N,N\'-bis(2,3-dihydroxypropyl)-5-acetamido-2,4,6-triiodoisophthalamide;Iohexol impurity A;5-(acetylamino)-N,N\'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide;
分子式:C16H20I3N3O7
分子量:747.059
精确质量:746.844
Psa:168.22
Logp:0.4796
编号系统
MDL号:MFCD08063354
物化性质
外观与性状:白色至灰白色固体
密度:2.29 g/cm3
沸点:746.085ºC at 760 mmHg
熔点:274-276°C
闪点:405.018ºC
折射率:1.736
密度:2.29 g/cm3
沸点:746.085ºC at 760 mmHg
熔点:274-276°C
闪点:405.018ºC
折射率:1.736
安全信息
安全说明:S26; S36/37/39; S45
危险类别码:R34
WGK Germany:3
海关编码:2924299090
危险品运输编码:UN 3267 8/PG 2
危险品标志:C
危险类别码:R34
WGK Germany:3
海关编码:2924299090
危险品运输编码:UN 3267 8/PG 2
危险品标志:C
生产方法及用途
用途
用作药物碘海醇的中间体
用作药物碘海醇的中间体
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict
