计算溶液所需的质量、体积或浓度。
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
为什么选择此级别
提供 ≥98% 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
室温。常规运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 23 篇同行评审文献引用。
概述
Ornidazole 是5-硝基咪唑衍生物，具有抗原虫和抗厌氧菌的抗菌性能。An anti-infective for protozoan infections
Ornidazole is a 5-nitroimidazole derivative with antiprotozoal and antibacterial properties against anaerobic bacteria.
An anti-infective for protozoan infections
规格
别名
奥硝唑
英文别名
MFCD00057960 | NCGC00016723-01 | BSPBio_000027 | HMS1568B09 | CAS-16773-42-5 | EN300-6731079 | HMS2051D22 | .alpha.-(Chloromethyl)-2-methyl-5-nitroimidazole-1-ethanol | alpha-(Chloromethyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol | HMS3712B09 | Imidazole-
规格或纯度
≥98%
英文名称
Ornidazole
生化机理
奥硝唑是一种抗感染药；用于治疗某些原生动物感染
储存条件
室温
运输条件
常规运输
作用机制
产生反应性中间体
纯度
≥98%
名称和识别符
PubChem SID
EC号
240-826-0
分子类型
小分子
IUPAC Name
1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
INCHI
1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3
InChi Key
IPWKIXLWTCNBKN-UHFFFAOYSA-N
Smiles
CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]
Isomeric SMILES
CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]
分子量
219.63
Reaxy-Rn
614299
Reaxys-RN link address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=614299&ln=
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 有机杂环化合物 |
| 类（Class) | 唑类 |
| 亚类（Subclass） | 咪唑类 |
| 中间层级节点（Intermediate Tree Nodes） | 取代咪唑 |
| 直接上位类(Direct Parent) | 硝基咪唑类 |
| 其他上位类（Alternative Parents） | 1,2,5-三取代咪唑 硝基芳香化合物 N-取代咪唑 杂芳族化合物 仲醇 氯醇 炔丙基型1,3-偶极有机化合物 氮杂环化合物 有机氧氮化合物 有机氧化物 碳氢化合物衍生物 有机两性离子 有机氯化物 有机氮化合物 烷基氯 有机光子化合物 |
| 分子骨架（Molecular Framework) | 芳香族杂单环化合物 |
| 取代基（Substituents） | 1,2,5-三取代咪唑 - 羟基苯甲酸酯 - 氟化烷基 - 烷基溴化物 - 烯丙基硫醚 - 芳香族杂单环化合物 - 氮杂环 - C-硝基化合物 - 氯醇 - 卤化烷醇 - 杂芳香族化合物 - 烃衍生物 - N-取代咪唑 - 硝基芳烃化合物 - 硝基咪唑 - 有机1,3-双极性化合物 - 有机硝基化合物 - 有机硝基化合物 - 有机氧化物 - 有机氧氮化合物 - 有机氧化合物 - 有机双性离子 - 有机氯化物 - 有机卤化物 - 有机氮化合物 - 有机氧化合物 - 有机氮化合物 - 丙炔型1,3-双极性有机化合物 - 醛基 - 三取代咪唑 |
| 描述（Description） | 该化合物属于有机化合物中称为硝基咪唑的类别。这类化合物含有一个带有硝基的咪唑环。 |
| 外部描述符（External Descriptors） | C-nitro compound - secondary alcohol - imidazoles - organochlorine compound |
三维结构
交互式化学结构模型
产品属性
| ALogP | 0.6 |
|---|
关联靶点（人）
F2
Tclin
Thrombin
(11687 活性数据)
ESR1
Tclin
Estrogen receptor alpha
(17718 活性数据)
PGR
Tclin
Progesterone receptor
(8562 活性数据)
CHRM2
Tclin
Muscarinic acetylcholine receptor M2
(10671 活性数据)
HTR1A
Tclin
Serotonin 1a (5-HT1a) receptor
(14969 活性数据)
ADRA2A
Tclin
Alpha-2a adrenergic receptor
(9450 活性数据)
AR
Tclin
Androgen Receptor
(11781 活性数据)
CHRM1
Tclin
Muscarinic acetylcholine receptor M1
(12690 活性数据)
GABRA1
Tclin
GABA receptor alpha-1 subunit
(399 活性数据)
MAOA
Tclin
Monoamine oxidase A
(11911 活性数据)
DRD1
Tclin
Dopamine D1 receptor
(9720 活性数据)
ACHE
Tclin
Acetylcholinesterase
(18204 活性数据)
PTGS1
Tclin
Cyclooxygenase-1
(9233 活性数据)
SLC6A2
Tclin
Norepinephrine transporter
(10102 活性数据)
SLC6A4
Tclin
Serotonin transporter
(12625 活性数据)
ADRA1A
Tclin
Alpha-1a adrenergic receptor
(8359 活性数据)
OPRM1
Tclin
Mu opioid receptor
(19785 活性数据)
DRD3
Tclin
Dopamine D3 receptor
(14368 活性数据)
SLC6A3
Tclin
Dopamine transporter
(10535 活性数据)
KCNH2
Tclin
HERG
(29587 活性数据)
PDE3A
Tclin
Phosphodiesterase 3A
(3309 活性数据)
HTR2B
Tclin
Serotonin 2b (5-HT2b) receptor
(10323 活性数据)
TBXA2R
Tclin
Thromboxane A2 receptor
(5717 活性数据)
PDE4A
Tclin
Phosphodiesterase 4A
(1943 活性数据)
ADORA3
Tchem
Adenosine A3 receptor
(15931 活性数据)
HRH3
Tclin
Histamine H3 receptor
(10389 活性数据)
KDR
Tclin
Vascular endothelial growth factor receptor 2
(20924 活性数据)
ABCC2
Tchem
Canalicular multispecific organic anion transporter 1
(1191 活性数据)
ABCB11
Tchem
Bile salt export pump
(2311 活性数据)
ABCC3
Tbio
Canalicular multispecific organic anion transporter 2
(718 活性数据)
GMNN
Tbio
Geminin
(128009 活性数据)
CBX1
Tbio
Chromobox protein homolog 1
(92434 活性数据)
ABCC4
Tchem
Multidrug resistance-associated protein 4
(785 活性数据)
关联靶点（其它种属）
ampC
Beta-lactamase AmpC (62480 活性数据)
Hdac6
Histone deacetylase 6 (222 活性数据)
Pseudomonas aeruginosa (123386 活性数据)
Klebsiella pneumoniae (43867 活性数据)
Bacteroides fragilis (1445 活性数据)
Staphylococcus aureus (210822 活性数据)
Acinetobacter baumannii (41033 活性数据)
Escherichia coli (133304 活性数据)
Entamoeba histolytica (2676 活性数据)
Cryptococcus neoformans (21258 活性数据)
Candida albicans (78123 活性数据)
Leishmania donovani (89745 活性数据)
Trypanosoma cruzi (99888 活性数据)
Giardia intestinalis (1290 活性数据)
Rattus norvegicus (775804 活性数据)
Trypanosoma brucei rhodesiense (7991 活性数据)
Trichophyton tonsurans (138 活性数据)
rep
Replicase polyprotein 1ab (378 活性数据)
Giardia (1682 活性数据)
SARS-CoV-2 (38078 活性数据)
作用机制
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
化学和物理性质
溶解性
Soluble in Chloroform and Methanol
熔点
92 °C
分子量
219.620 g/mol
XLogP3
0.600
氢键供体数Hydrogen Bond Donor Count
1
氢键受体数Hydrogen Bond Acceptor Count
4
可旋转键计数Rotatable Bond Count
3
精确质量Exact Mass
219.041 Da
单同位素质量Monoisotopic Mass
219.041 Da
拓扑极表面积Topological Polar Surface Area
83.900 Ų
重原子数Heavy Atom Count
14
形式电荷Formal Charge
0
复杂度Complexity
211.000
同位素原子数Isotope Atom Count
0
定义的原子立体中心计数Defined Atom Stereocenter Count
0
未定义的原子立体中心计数Undefined Atom Stereocenter Count
1
定义的键立体中心计数Defined Bond Stereocenter Count
0
未定义的键立体中心计数Undefined Bond Stereocenter Count
0
所有立体化学键的总数The total count of all stereochemical bonds
0
共价键合单元计数Covalently-Bonded Unit Count
1
安全和危险性（GHS）
象形图
信号词
警告
危险声明
H302: 吞食有害
预防措施声明
P264: 处理后要彻底洗手。
P270: 使用本产品时，请勿进食、饮水或吸烟。
P330: 漱口
P301+P312: 如误吞咽：如感觉不适，呼叫急救中心/医生。
P501: 将内容物/容器处理到。。。
WGK Germany
3
RTECS
NI5460000
Merck Index
6872
质检证书（CoA,COO,BSE/TSE 和分析图谱)
C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:
通过匹配包装上的批号来查找并下载产品的 COA，每批产品都进行了严格的验证，您可放心使用！
| 批号(Lot Number) | 证书类型 | 货号 |
|---|---|---|
 I2227606 |
分析证书 | O129376 |
| I2227654 |
分析证书 | O129376 |
| I2227662 |
分析证书 | O129376 |
| I2227664 |
分析证书 | O129376 |
| A2620019 |
分析证书 | O129376 |
| C2624040 |
分析证书 | O129376 |
| J2531088 |
分析证书 | O129376 |
| G2517044 |
分析证书 | O129376 |
| E1818119 |
分析证书 | O129376 |
| L2425298 |
分析证书 | O129376 |
| J2421276 |
分析证书 | O129376 |
| E1818120 |
分析证书 | O129376 |
| F1524137 |
分析证书 | O129376 |
显示更多⌵
技术文档和文章
此产品的引用文献
引用文献
| 1. Abdur Raheem Aleem, Rihui Chen, Tonghua Wan, Wei Song, Chuyan Wu, Xue Qiu, Qiuqiang Zhan, Kuncheng Xu, Xin Gao, Tianci Dong, Xiang Chen, Lin Yu, Hongli Wen. (2023) Highly water-soluble and biocompatible hyaluronic acid functionalized upconversion nanoparticles as ratiometric nanoprobes for label-free detection of nitrofuran and doxorubicin. FOOD CHEMISTRY, [PMID:38011791] [10.1016/j.foodchem.2023.137961] |
| 2. Wang Jie, Zhang Hang, Wang Yan, Liu Xiang, Zhu Weiwen, Jiang Fei, Li Size, Liu Laikui. (2023) AuNP-Loaded Electrospinning Membrane Cooperated with CDs for Periodontal Tissue Engineering. Tissue Engineering and Regenerative Medicine, [PMID:37823990] [10.1007/s13770-023-00583-4] |
| 3. Yanqiu Zhang, Minrui Sun, Yang Lu, Mingguo Peng, Erdeng Du, Xia Xu. (2023) Nitrogen-Doped Carbon Dots Encapsulated a Polyoxomolybdate-Based Coordination Polymer as a Sensitive Platform for Trace Tetracycline Determination in Water. Nanomaterials, 13 (19): (2676). [PMID:37836317] [10.3390/nano13192676] |
| 4. Shaojie Wang, Yongbo Wang, Yuanna Ning, Qiming Liu. (2023) Inner filter effect-based near-infrared fluorescent probe for detection of metronidazole on a smartphone-integrated analytical platform. ANALYST, 148 (11): (2544-2552). [PMID:37144556] [10.1039/D3AN00039G] |
| 5. Chun Wang, Qianqian Wang, Jintao Yu, Xinmeng Wang, Lijuan Wang, Bin Zhao, Lin Hao, Weihua Liu, Zhi Wang, Hao Chen, Qiuhua Wu. (2023) Converting waste expanded polystyrene into higher-value-added hyper-crosslinked porous polymer for rapid and high-efficient adsorption of aflatoxins. Journal of Cleaner Production, [10.1016/j.jclepro.2023.137102] |
| 6. Lin Li, Yingying Li, Sijia Zhang, Ting Wang, Xiaohong Hou. (2022) Monolithic and compressible MIL-101(Cr)/cellulose aerogel/melamine sponge based microextraction in packed syringe towards trace nitroimidazoles in water samples prior to UPLC-MS/MS analysis. TALANTA, [PMID:36122434] [10.1016/j.talanta.2022.123935] |
| 7. He Ziguo, Liu Jiaxu, Zhang Cheng, Sun Yudie, Chen Qian, Zhang Jian, Liu Shengjun, Yue Caibo, Ye Mingfu, Zhang Kui. (2022) Spectrally tunable humic acid–based carbon dots: a simple platform for metronidazole and ornidazole sensing in multiple real samples. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 415 (18): (4221-4232). [PMID:36002744] [10.1007/s00216-022-04291-1] |
| 8. Qianqian Wang, Ranxiao Tang, Mingming Xu, Junmin Wang, Shuofeng Li, Weihua Liu, Lin Hao, Shuaihua Zhang, Junhong Zhou, Chun Wang, Qiuhua Wu, Zhi Wang. (2022) Sustainable synthesis of hydroxyl-functional porous organic framework as novel adsorbent for effective removal of organic micropollutants from water. JOURNAL OF ENVIRONMENTAL MANAGEMENT, [PMID:35985270] [10.1016/j.jenvman.2022.115952] |
| 9. Min Li, Weihua Liu, Xufeng Meng, Shuofeng Li, Qianqian Wang, Yaxing Guo, Yuanyuan Wu, Lin Hao, Xiumin Yang, Zhi Wang, Chun Wang, Qiuhua Wu. (2022) Facile synthesis of magnetic hypercrosslinked polymer for the magnetic solid-phase extraction of benzoylurea insecticides from honey and apple juice samples. FOOD CHEMISTRY, [PMID:35792491] [10.1016/j.foodchem.2022.133596] |
| 10. Yang Wang, Hongwei Yuan, Ye Wan, Lei Zhang. (2022) Three-dimensional acanthosphere-like hierarchical Co@graphitic carbon for dispersive magnetic solid-phase extraction of nitroimidazole. JOURNAL OF CHROMATOGRAPHY A, [PMID:35623194] [10.1016/j.chroma.2022.463163] |
| 11. Yu Wang, Juanjuan Wang, Ming Guan, Parashuram Kallem, Hongdeng Qiu, Jia Chen. (2022) Bimetallic nitrogen-doped porous graphene for highly efficient magnetic solid phase extraction of 5-nitroimidazoles in environmental water. ANALYTICA CHIMICA ACTA, [PMID:35361436] [10.1016/j.aca.2022.339698] |
| 12. Weizhen Wu, Xiaoyi Wu, Miao He, Xiaolin Yuan, Jiaping Lai, Hui Sun. (2021) A novel carbon dot/polyacrylamide composite hydrogel film for reversible detection of the antibacterial drug ornidazole. RSC Advances, 11 (37): (22993-23001). [PMID:35480440] [10.1039/D1RA01478A] |
| 13. Xueqing Guo, Yang Liu, Wenjuan Dong, Qin Hu, Yong Li, Shaomin Shuang, Chuan Dong, Lishuai Cai, Xiaojuan Gong. (2021) Azithromycin detection in cells and tablets by N,S co-doped carbon quantum dots. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:33561684] [10.1016/j.saa.2021.119506] |
| 14. Qianqian Wang, Weihua Liu, Lin Hao, Chun Wang, Qiuhua Wu, Zhi Wang. (2020) Fabrication of magnetic porous organic framework for effective enrichment and assay of nitroimidazoles in chicken meat. FOOD CHEMISTRY, [PMID:32619936] [10.1016/j.foodchem.2020.127427] |
| 15. Guodong Ren, Xiaoyu Hou, Yu Kang, Rong Zhang, Min Zhang, Wen Liu, Lihong Li, Shuangyan Wei, Haojiang Wang, Bin Wang, Haipeng Diao. (2020) Efficient preparation of nitrogen-doped fluorescent carbon dots for highly sensitive detection of metronidazole and live cell imaging. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:32193157] [10.1016/j.saa.2020.118251] |
| 16. Wang Qianqian, Li Gaigai, Wang Chun, Wu Qiuhua, Wang Zhi. (2020) Layered porous organic frameworks as a novel adsorbent for the solid phase extraction of chlorophenols prior to their determination by HPLC-DAD. MICROCHIMICA ACTA, 187 (4): (1-11). [PMID:32152748] [10.1007/s00604-020-4195-x] |
| 17. Haochi Liu, Jie Ding, Kun Zhang, Lan Ding. (2019) Fabrication of carbon dots@restricted access molecularly imprinted polymers for selective detection of metronidazole in serum. TALANTA, [PMID:31892057] [10.1016/j.talanta.2019.120508] |
| 18. Juan Wang, Wei Du, Xingqi Huang, Junling Hu, WeiWei Xia, Dangqin Jin, Yun Shu, Qin Xu, Xiaoya Hu. (2018) A novel metronidazole electrochemical sensor based on surface imprinted vertically cross-linked two-dimensional Sn3O4 nanoplates. Analytical Methods, 10 (41): (4985-4994). [10.1039/C8AY01824C] |
| 19. Xionghui Ma, Jianping Li, Jinhui Luo, Chunhua Liu, Shuhuai Li. (2018) Electrochemical sensor for the determination of dimetridazole using a 3D Cu2O/ErGO-modified electrode. Analytical Methods, 10 (27): (3380-3385). [10.1039/C8AY00589C] |
| 20. Na Xu, Hong-Wei Li, Yuqing Wu. (2016) Hydrothermal synthesis of polyethylenimine-protected high luminescent Pt-nanoclusters and their application to the detection of nitroimidazoles. ANALYTICA CHIMICA ACTA, [PMID:28110684] [10.1016/j.aca.2016.12.033] |
| 21. Tao Zhao, Minghao Xu, Xuerui Yang, Jean-Marc Chovelon, Lei Zhou. (2025) Exploring the reactivity of high-valent copper species with emerging contaminants using predictive QSAR modelling. ENVIRONMENTAL TECHNOLOGY, [PMID:40163592] [10.1080/09593330.2025.2485363] |
| 22. Shunxin Xu, Juncai Zhang, Yaru Zhao, Yanqiong Shen, Yichun Qiu, Yuhang Bao, Kui Tang, Yanfang Peng, Yuanqin Zeng, Jinjie Qian, Qipeng Li. (2025) Highly thermal-stable R6G@UIO-67 for the selective detection of ornidazole and white light emitting diode. JOURNAL OF MOLECULAR STRUCTURE, [10.1016/j.molstruc.2025.141482] |
| 23. Zhengshuang Yang, Jiaqing Tang, Beining Chen, Xiaolei Qu, Heyun Fu. (2023) Nanoporous Pyrene-Based Metal–Organic Frameworks for Fluorescence Screening and Discrimination of Sulfonamide Antibiotics. ACS Applied Nano Materials, [10.1021/acsanm.3c04615] |
溶液计算器
常见问题
本产品的纯度是多少？
本产品的化学纯度（含量）为 ≥98%。批次的具体数值以分析证书（COA）为准。
本产品应如何储存？
请于室温条件下保存。
本产品如何运输？
本产品按常温标准条件运输，无需温控包装。
本产品的 CAS 号、分子式和分子量是多少？
本产品的 CAS 号为 16773-42-5，分子式为 C7H10ClN3O3，分子量为 219.63 g/mol。InChIKey IPWKIXLWTCNBKN-UHFFFAOYSA-N。
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