59017-64-0 (碘克沙酸,Ioxaglic Acid)

CAS号:
59017-64-0
中文名称:
碘克沙酸
英文名称:
Ioxaglic Acid
分子式:
C24H21I6N5O8
分子量:
1268.87907958031

碘克沙酸(59017-64-0)名称与标识符

名称

中文别名:
碘克沙酸;碘克沙酸 EP标准品;碘克沙酸 USP标准品;
英文别名:
Ioxaglic Acid;3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid;N-(2-Hydroxyethyl)-2,4,6-triiodo-5-{2-[2,4,6-triiodo-3-(N-methylacetamido)-5-(methylcarbamoyl)benzamido]acetamido}isophthalamic acid;Acide ioxaglique [INN-French];W-111165;Benzoic acid, 3-((((3-(acetylmethylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoyl)amino)acetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodo-;Prestwick2_001062;Acide ioxaglique;BRD-K79124250-001-03-0;HY-106586;Ioxaglic acid [USAN:USP:INN:BAN:JAN];CAS-59017-64-0;Tox21_110664;IOXAGLIC ACID [INN];IOXAGLIC ACID [WHO-DD];Ioxaglate;Prestwick3_001062;DA-64479;Acidum ioxaglicum;IOXAGLIC ACID [MI];CHEBI:31718;CS-0026109;Q6064817;TYYBFXNZMFNZJT-UHFFFAOYSA-N;Prestwick1_001062;IOXAGLIC ACID [MART.];59017-64-0;3-[(N-{3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl}glycyl)amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid;IOXAGLIC ACID [USAN];Acido ioxaglico [INN-Spanish];DTXSID5023166;3-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodo-5-(2-{[2,4,6-triiodo-3-(methylcarbamoyl)-5-(N-methylacetamido)phenyl]formamido}acetamido)benzoic acid;BRD-K79124250-001-08-9;3-{[N-({3-[acetyl(methyl)amino]-2,4,6-triiodo-5-[(methylamino)carbonyl]phenyl}carbonyl)glycyl]amino}-5-{[(2-hydroxyethyl)amino]carbonyl}-2,4,6-triiodobenzoic acid;N-(2-Hydroxyethyl)-2,4,6-triiodo-5-[2-[2,4,6-triiodo-3-(N-methylacetamido)-5-(methylcarbamoyl)benzamido]acetamido]isophthalamic acid;IOXAGLIC ACID [USP-RS];BENZOIC ACID, 3-((((3-(ACETYLMETHYLAMINO)-2,4,6-TRIIODO-5-9((METHYLAMINO)CARBONYL)BENZOYL)AMINO)ACETYL)AMINO)-5-(((2-HYDROXYETHYL)AMINO)CARBONYL)-2,4,6-TRIIODO-;SR-01000841818;HMS3715E06;NS00006189;SR-01000841818-2;NCGC00016886-01;BSPBio_001044;HSDB 8077;SPBio_002962;Prestwick0_001062;SMR001233442;Ioxaglic acid (JAN/USP/INN);ioxaglic-acid;UNII-Z40X7EI2AF;NCGC00016886-02;Hexabrix 160;HMS2098E06;IOXAGLIC ACID [USP MONOGRAPH];N-(2-Hydroxyethyl)-2,4,6-triiodo-5-(2-(2,4,6-triiodo-3-(N-methylacetamido)-5-(methylcarbamoyl)benzamido)acetamido)isophthalamic acid;EINECS 261-560-1;IOXAGLIC ACID [EP MONOGRAPH];MLS002154135;Hexabrix 320;Z40X7EI2AF;D01761;HMS3371K01;IOXAGLIC ACID [JAN];Hexabrix 160; P 286;P 286 (Contrast medium);P-286;CHEMBL1201291;DB09313;Acido ioxaglico;IOXAGLATE [VANDF];NCGC00016886-04;CCG-221062;AKOS040758216;EN300-19767823;DTXCID703166;AB00514026;BPBio1_001150;[(methylamino)carbonyl]benzoyl]amino]acetyl]amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodo-;HMS2234I18;Ioxaglic acid; 3-[[[[3-(Acetylmethylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid;Acidum ioxaglicum [INN-Latin];HMS1571E06;IOXAGLIC ACID (100 MG);Hexabrix 320 (TN);SCHEMBL38073;

标识符

MDL:
MFCD00867945
InChIKey:
TYYBFXNZMFNZJT-UHFFFAOYSA-N
Inchi:
1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43)
SMILES:
IC1C(C(NCC(NC2=C(C(C(=O)O)=C(C(C(NCCO)=O)=C2I)I)I)=O)=O)=C(C(C(NC)=O)=C(C=1N(C(C)=O)C)I)I

碘克沙酸(59017-64-0)物化性质

实验特性

  • LogP : 4.69100
  • PSA : 194.24000
  • 熔点 : 302°C
  • 密度 : 2.4120 (estimate)

计算特性

  • 精确分子量 : 1268.57000
  • 氢键供体数量 : 6
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 10
  • 同位素质量 : 1268.5658g/mol
  • 重原子数量 : 43
  • 复杂度 : 1090
  • 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 : 0
  • 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) : 2.8
  • 拓扑分子极性表面积 : 194Ų

碘克沙酸(59017-64-0)安全信息

碘克沙酸(59017-64-0)推荐厂家 更多厂家(4)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单
深圳振强药物研发有限公司 13670046396
86-755-66853366
颜经理 2851296953
询单
上海柯维化学技术有限公司 18901607656
021-64609169
白荷 3428632096 询单
上海阿拉丁生化科技股份有限公司 13167063860
13167063860
阿拉丁 3004013043
询单

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