compound introduction
碘曲仑是一种有机分子实体。
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2,4,6-triiodo-5-[methyl-[3-oxo-3-[2,4,6-triiodo-N-methyl-3,5-bis(1,3,4-trihydroxybutan-2-ylcarbamoyl)anilino]propanoyl]amino]-1-N,3-N-bis(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide
CAS number：79770-24-4 molecular formula：C37H48I6N6O18
overview
Specs
| Chinese alias | - | ||
| English alias | 2,4,6-Triiodo-5-[methyl-[3-[methyl-[2,4,6-triiodo-3,5-bis(1,3,4-trihydroxybutan-2-ylcarbamoyl)phenyl]amino]-3-oxopropanoyl]amino]-N,N'-bis(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide | ||
| CAS number | 79770-24-4 | molecular formula | C37H48I6N6O18 |
| molecular weight | 1626.2 | Exact mass | - |
| PSA | 400 | logp | -4.2 |
numbering system
| CAS | 79770-24-4 |
| UNII | 16FL47B687 |
| HMDB ID | HMDB0253551 |
| KEGG ID | D01714 |
| ChEBI ID | 31715 |
| Wikidata | Q6064149 |
| ChEMBL ID | CHEMBL1200555 |
| Wikipedia | Iotrolan |
| DrugBank ID | DB09487 |
| DrugCentral | 1470 |
| PubChem CID | 3738 |
| Nikkaji Number | J24.140G |
| NCI 词表代码 | C65945 |
| DSSTox Substance ID | DTXSID0023165 |
| Metabolomics Workbench ID | 152402 |
| PubChem Reference Collection SID | 483927951 |
| United States Adopted Name (USAN) | IOTROLAN |
| International Nonproprietary Names (INN) | IOTROLAN |
physicochemical properties
| XLogP3 | XLogP3-AA: -4.2 |
| 复杂性 | 1450 |
| Exact Mass | 1625.7293 |
| Human Drugs | FDA批准药物 -> 活性成分 |
| 形式电荷 | 0 |
| 重原子计数 | 67 |
| Molecular Weight | 1626.2 |
| Monoisotopic Mass | 1625.7293 |
| 可旋转键计数 | 24 |
| 氢键供体计数 | 16 |
| 氢键受体计数 | 18 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 400 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 8 |
Safety information
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Production methods and uses
purpose
工业应用参考：
工业分类参考：医药制造业。
应用场景参考：适用于实验室研发、教学科研和技术验证场景，常用于新产品开发、方法建立和样品评估 。
作用参考：在科研材料体系中具备较强的组合应用潜力，价值往往取决于具体配方、纯度等级和工艺设计 。
选型提示：不同品牌和不同标准体系下的技术参数可能存在差异，应用前应优先核对规格、检测方法和质量要求 。
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