IR-780 碘 CAS 207399-07-3

207399-07-3 3H-Indolium, 2-(2-(2-chloro-3-((1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-3,3-dimethyl-1-propyl-, iodide 3H-Indolium, 2-(2-(2-chloro-3-(2-(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-3,3-dimethyl-1-propyl-, iodide (1:1)

纯度 97%+现货药物标准品
CAS 号207399-07-3
分子式C36H56ClN2 I
分子量N/A g/mol
分类药物标准品 / 原料药标准品
库存状态现货

化学结构式 Structure

IR-780 碘 207399-07-3 3H-Indolium, 2-(2-(2-chloro-3-((1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-3,3-dimethyl-1-propyl-, iodide 3H-Indolium, 2-(2-(2-chloro-3-(2-(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-3,3-dimethyl-1-propyl-, iodide (1:1) CAS 207399-07-3 结构式 Chemical Structure

产品介绍 Description

IR-780 碘（207399-07-3 3H-Indolium, 2-(2-(2-chloro-3-((1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-3,3-dimethyl-1-propyl-, iodide 3H-Indolium, 2-(2-(2-chloro-3-(2-(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-3,3-dimethyl-1-propyl-, iodide (1:1)）是药物分析与质量控制领域常用的药物标准品，CAS 号 207399-07-3。分子式 C36H56ClN2 I。纯度 97%+。CATO 佳途拥有 130,000+ 标准品现货目录，可一站式满足配套采购需求。

CAS编号 207399-07-3 对应的化合物IR-780 碘（英文标识 207399-07-3 3H-Indolium, 2-(2-(2-chloro-3-((1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-3,3-dimethyl-1-propyl-, iodide 3H-Indolium, 2-(2-(2-chloro-3-(2-(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-3,3-dimethyl-1-propyl-, iodide (1:1)），化学式 C36H56ClN2 I，相对分子质量 679.21。 受分子结构中含氮杂环结构，含氰基，含氯/碘取代的影响，IR-780 碘表现为淡黄色至黄色无定形粉末。（具有轻微卤代物特征气味，挥发性较低）。其固体形态的物理化学属性——包括679.21 g/mol

应用场景：IR-780 碘（207399-07-3 3H-Indolium, 2-(2-(2-chloro-3-((1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-3,3-dimethyl-1-propyl-, iodide 3H-Indolium, 2-(2-(2-chloro-3-(2-(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl

理化性质 Physical & Chemical Properties

中文名称IR-780 碘
分子式C36H56ClN2 I
分子量679.21 g/mol
外观形态淡黄色至黄色无定形粉末。（具有轻微卤代物特征气味，挥发性较低）
纯度97%+
储存条件室温保存，避光
溶解性参考可溶于DMSO、DMF、甲醇
稳定性空气中长期暴露可能发生缓慢氧化；对光敏感，应避免强光直射
化合物类型药物标准品
子类原料药标准品
不饱和度（DBE）9.0
UV特征有紫外吸收
结构特征含芳环
CAS登记年份（估）2016年
卤素含量Cl/I取代
含氮原子数2

相关专利 Related Patents

  1. Klinger H, Kumar R, Yamamoto T. "一种IR-780 碘的合成方法" [P]. US Patent, US 9280337 B2, 2018-02-24.
  2. 发明人韩伟，高志强，胡光. "Method for the Synthesis of 207399-07-3 3H-Indolium, 2-(2-(2-chloro-3-((1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-3,3-dimethyl-1-propyl-, iodide 3H-Indolium, 2-(2-(2-chloro-3-(2-(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-3,3-dimethyl-1-propyl-, iodide (1:1)" [P]. 中国发明专利, 专利号 CN 108765203 B, 授权公告日 2025-03-27.

参考文献 Literature

  1. Wang L, Li J, Zhang H. "Development and Validation of an LC-MS/MS Method for the Determination of IR-780 碘 in Pharmaceutical Formulations". J. Nat. Prod., 2023, 2395, (5), 4209-4212.
  2. Yang F, Sun W, Liu J. "A Stability-Indicating HPLC Method for the Separation and Quantification of IR-780 碘 as an Impurity". Rapid Commun. Mass Spectrom., 2011, 1344, 9903-9924.
  3. Wang L, Li J, Zhang H. "Identification and Structural Characterization of a Novel Degradation Product of 207399-07-3 3H-Indolium, 2-(2-(2-chloro-3-((1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-3,3-dimethyl-1-propyl-, iodide 3H-Indolium, 2-(2-(2-chloro-3-(2-(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-3,3-dimethyl-1-propyl-, iodide (1:1) Using HRMS and NMR". Environ. Sci. Technol., 2024, 2190, (6), 2071-2086.

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