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5-乙酰胺基-2,4,6-三碘-N,N'-双(2,3-二羟基丙基)-1,3-苯二甲酰胺 | 31127-80-7

5-乙酰胺基-2,4,6-三碘-N,N'-双(2,3-二羟基丙基)-1,3-苯二甲酰胺
5-(Acetylamino)-N,N’-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
31127-80-7
C16H20N3O7I3
747.0579
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:5-乙酰胺基-2,4,6-三碘-N,N'-双(2,3-二羟基丙基)-1,3-苯二甲酰胺结构式
87560703
名称和标识符
MDL MFCD08063354
InChIKey BHCBLTRDEYPMFZ-UHFFFAOYSA-N
Inchi 1S/C16H20I3N3O7/c1-6(25)22-14-12(18)9(15(28)20-2-7(26)4-23)11(17)10(13(14)19)16(29)21-3-8(27)5-24/h7-8,23-24,26-27H,2-5H2,1H3,(H,20,28)(H,21,29)(H,22,25)
SMILES CC(NC1=C(I)C(C(NCC(O)CO)=O)=C(I)C(C(NCC(O)CO)=O)=C1I)=O
别名信息
- 中文别名 -
  • 5-乙酰胺基-2,4,6-三碘-N,N'-双(2,3-二羟基丙基)-1,3-苯二甲酰胺
  • 碘海醇水解物
  • 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)-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)-2,4,6-三碘间苯二甲酰胺
  • 5-乙酰胺基-2,4,6-三碘-N,N''-双(2,3-二羟基丙基)-1,3-苯二甲酰胺
  • N-乙酰三碘二胺
  • 碘海醇相关化合物 A
  • 碘海醇相关化合物A USP标准品
  • 碘海醇杂质A
  • 碘海醇杂质I
  • 碘海醇中间体
  • 碘克沙醇杂质B
  • 5- 乙酰胺基 - N,N’-二-(2,3-二羟基丙基)-2,4,6-三碘异酞酰
  • 5-(乙酰氨基)
  • 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-1,3-苯二甲酰胺
  • 碘克沙醇EP杂质B
- 英文别名 -
  • 5-Acetamido-N1,N3-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)-N,N’-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
  • 5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
  • 1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
  • 1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis[(2R)-2,3-dihydroxypropyl]-2,4,6-triiodo-, rel-
  • HYDROLYSATE
  • 5-(Acetamido)-N,N'-bis(2,3-dih
  • 5-Acetamido-2,4,6-Triiodo-N,N-(Dihydroxy Propyl) Isophthalamide
  • 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
  • Iohexol Related Compound A
  • 5-(Acetylamino)-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
  • 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
  • 1,3-Benzenedicarboxamide,5-(acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo- (9CI)
  • Isophthalamide, 5-acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo- (8CI)
  • 5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
  • 5-Acetylamino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
  • Iohexol hydrolysate
  • Iodixanol EP Impurity B
  • (+/-)-5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
  • 66108-90-5
  • A820731
  • 5-Acetamido-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodois
  • 5-Acetylamino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
  • MFCD08063354
  • 5-acetylamino-N,N'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo isophthalamide
  • 5-Acetamido-N,N`-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
  • 5-acetamino-N,N'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzene-dicarboxamide
  • 5-Acetamido-2,4,6-triiodo-N,N'-bis(2,3-dihydroxypropyl)isophthalamide
  • 5-ACETAMIDO-N,N?-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOISOPHTHALAMIDE
  • 5-acetamido-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide
  • 5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
  • N1,N3-bis(2,3-dihydroxypropyl)-5-acetamido-2,4,6-triiodobenzene-1,3-dicarboxamide
  • 5-acetylamino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
  • Iohexol specified impurity A [EP]
  • IOHEXOL IMPURITY A [EP IMPURITY]
  • BK2UH2P436
  • AB43488
  • 5-Acetamido-N,N inverted exclamation mark -bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
  • Q27274719
  • 5-(Acetylamino)-N,N inverted exclamation mark -bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
  • AKOS015900494
  • 5-acetylamino-N,N'-bis-(2,3-dihydroxy-propyl)-2,4,6-triiodo-isophthalamide
  • N~1~,N~3~-Bis(2,3-dihydroxypropyl)-5-[(1-hydroxyethylidene)amino]-2,4,6-triiodobenzene-1,3-dicarboximidic acid
  • IODIXANOL IMPURITY B [EP IMPURITY]
  • 5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
  • Isophthalamide, 5-acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
  • UNII-BK2UH2P436
  • 5-acetamido-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
  • BCP21172
  • DTXSID20953226
  • AC-2654
  • SY002416
  • CS-0188286
  • AC7510
  • 5-acetamido-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
  • AS-74207
  • C16H20I3N3O7
  • 31127-80-7
  • 1,3-Benzenedicarboxamide, 5-(acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
  • 1,3-BENZENEDICARBOXAMIDE, 5-(ACETYLAMINO)-N1,N3-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-
  • SCHEMBL619944
  • NS00077895
  • BHCBLTRDEYPMFZ-UHFFFAOYSA-N
  • Iodixanol impurity B [EP]
  • 5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiono-1,3-benzenedicarboxamide
  • FT-0638951
  • Iohexol impurity A
物化性质
实验特性
LogP 0.47960
PSA 168.22000
折射率 1.736
沸点 746.085 ℃ at 760 mmHg
熔点 275°C(lit.)
蒸气压 0.0±2.6 mmHg at 25°C
闪点 405.018℃
颜色与性状 白色至灰白色固体
密度 2.3±0.1 g/cm3
计算特性
精确分子量 746.84400
氢键供体数量 7
氢键受体数量 10
可旋转化学键数量 12
同位素质量 746.8435g/mol
重原子数量 29
复杂度 546
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 2
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP)
互变异构体数量 9
表面电荷 0
拓扑分子极性表面积 168Ų
国际标准相关数据
EINECS 87560703
海关数据
海关编码 2924299090
海关数据

中国海关编码:

2924299090

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%

生产方法和用途
用途 用作药物碘海醇的中间体
专业数据库参考
PubChemId 87560703
参考资料
Reaxys RN 2404256
化合物详情(旧版)

SMILES

OCC(O)CNC(=O)C1C(I)=C(C(=O)NCC(O)CO)C(I)=C(NC(C)=O)C=1I

5-乙酰胺基-2,4,6-三碘-N,N'-双(2,3-二羟基丙基)-1,3-苯二甲酰胺推荐生产厂家
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