苯酰甲硝唑

• 常用名: 苯酰甲硝唑
• 英文名: Metronidazole Benzoate
• CAS号: 13182-89-3
• 分子量: 194.184
• 密度: 1.3±0.1 g/cm3
• 沸点: 372.3±27.0 °C at 760 mmHg
• 分子式: C₁₃H₁₃N₃O₄
• 熔点: 102 °C
• 闪点: 150.5±17.2 °C

苯酰甲硝唑用途

Metronidazole Benzoate 衍生自甲硝唑和苯甲酸,具有抗菌,抗寄生虫,抗滴虫等作用。

苯酰甲硝唑名称

• 中文名: 苯酰甲硝唑
• 英文名: metronidazole benzoate
• 中文别名: 灭滴灵 | 1-(2-苯甲酰氧乙基)-5-硝基-2-甲基咪唑 | 1-(2-苯甲酰氧乙基)-2-甲基-5-硝基咪唑 | 苯甲酸甲硝唑

苯酰甲硝唑生物活性

• 描述: Metronidazole Benzoate 衍生自甲硝唑和苯甲酸,具有抗菌,抗寄生虫,抗滴虫等作用。
• 相关类别:
  研究领域 >> 感染
  信号通路 >> 抗感染 >> 细菌
• 靶点实验:

  Antibacterial, antimicrobial, antiparasitic, antitrichomonal[1]

• 体外研究: 苯甲酸甲硝唑用于治疗多种厌氧菌、原生动物和类细菌引起的感染,包括滴虫病、阿米巴病、阴道病和牙龈炎[1]。
• 参考文献:

  [1]. Santiago de Oliveira Y, et al. The design of novel metronidazole benzoate structures: exploring stoichiometric diversity. Acta Crystallogr C Struct Chem. 2019 May 1;75(Pt 5):483-495.

苯酰甲硝唑物理化学性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 372.3±27.0 °C at 760 mmHg
• 熔点: 102 °C
• 分子式: C₁₃H₁₃N₃O₄
• 分子量: 194.184
• 闪点: 150.5±17.2 °C
• 精确质量: 194.057907
• PSA: 89.94000
• LogP: 1.64
• InChIKey: CUUCCLJJOWSASK-UHFFFAOYSA-N
• SMILES: Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1
• 外观性状: 固体;White to Light yellow powder to crystal
• 蒸汽压: 0.0±0.9 mmHg at 25°C
• 折射率: 1.627
• 储存条件: 0-10°C;存放于惰性气体之中;避免空气,加热
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:5

  4.可旋转化学键数量:5

  5.互变异构体数量:无

  6.拓扑分子极性表面积:89.9

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:352

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

苯酰甲硝唑MSDS

苯酰甲硝唑MSDS英文版

苯酰甲硝唑安全信息

• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2933990090

苯酰甲硝唑海关

• 海关编码: 2933290090
• 中文概述: 2933290090. 其他结构含非稠合咪唑环的化合物. 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:20.0%
• 申报要素: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
• Summary: 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

苯酰甲硝唑靶点实验

查看更多实验

实验名称：Primary cell-based high-throughput screening assay for identification of compounds th... 来源：Johns Hopkins Ion Channel Center 靶标：regulator of G-protein signaling 4 isoform 2 [Homo sapiens] External Id：JHICC_RGS_Act_HTS

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

实验名称：Cytotoxicity counterscreen for inhibitors of SARS-CoV-2 cell entry 来源：NCGC 靶标：N/A External Id：TRND-SARS-CoV-2-cytotox-48hr

实验名称：High throughput fluorescence intensity-based biochemical assay to screen for small mo... 来源：University of Pittsburgh Molecular Library Screening Center 靶标：furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens] External Id：MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

实验名称：Primary qHTS to identify inhibitors of SARS-CoV-2 cell entry 来源：NCGC External Id：TRND-SARS-CoV-2-PP

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苯酰甲硝唑英文别名

• (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid
• caffeic acid 3-methyl ether
• Benzoylmetronildazole
• Coniferic acid
• (E)-4-hydroxy-3-methoxy-Cinnamic acid
• (E)-4-Hydroxy-3-methoxycinnamic acid
• MFCD00239523
• (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
• Metronidazole Benzoate
• (E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid
• (2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid
• (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid
• 2-Methyl-5-nitro-1H-imidazole-1-ethyl benzoate
• Ferulic acid
• 3-(4-Hydroxy-3-methoxyphenyl)propenoic acid
• 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate
• (2E)-3-(4-Hydroxy-3-methoxyphenyl)acrylic acid
• EINECS 236-131-7
• 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, benzoate (ester)