乙酰水杨酰水杨酸结构式
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常用名 | 乙酰水杨酰水杨酸 | 英文名 | acetylsalicylsalicylic acid |
|---|---|---|---|---|
| CAS号 | 530-75-6 | 分子量 | 300.263 | |
| 密度 | 1.3±0.1 g/cm3 | 沸点 | 540.1±35.0 °C at 760 mmHg | |
| 分子式 | C16H12O6 | 熔点 | 153-160ºC | |
| MSDS | N/A | 闪点 | 203.9±19.4 °C |
| 中文名 | 乙酰水杨酰水杨酸 |
|---|---|
| 英文名 | acetylsalicylsalicylic acid |
| 中文别名 | 乙酰基水杨酸 | 乙酰水杨酸杂质D |
| 英文别名 | 更多 |
| 密度 | 1.3±0.1 g/cm3 |
|---|---|
| 沸点 | 540.1±35.0 °C at 760 mmHg |
| 熔点 | 153-160ºC |
| 分子式 | C16H12O6 |
| 分子量 | 300.263 |
| 闪点 | 203.9±19.4 °C |
| 精确质量 | 300.063385 |
| PSA | 89.90000 |
| LogP | 2.37 |
| InChIKey | DDSFKIFGAPZBSR-UHFFFAOYSA-N |
| SMILES | CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O |
| 外观性状 | 白色至近乎于白色细结晶粉末 |
| 蒸汽压 | 0.0±1.5 mmHg at 25°C |
| 折射率 | 1.599 |
| 储存条件 | 密封储存,储存于阴凉、干燥的库房。 |
| 稳定性 | 常温常压下稳定,避免与不相容材料接触。 与强氧化剂反应。 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:1 3.氢键受体数量:6 4.可旋转化学键数量:6 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:22 8.表面电荷:0 9.复杂度:432 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 |
| 更多 | 1. 性状:白色结晶状粉末 2. 密度(g/mL,25℃):未确定 3. 相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(ºC):153-160 5. 沸点(ºC,常压):未确定 6. 沸点(ºC,60mmHg):未确定 7. 折射率(n20/D):未确定 8. 闪点(ºC):未确定 9. 比旋光度(º):未确定 10. 自燃点或引燃温度(ºC):未确定 11. 蒸气压(kPa,25 ºC):未确定 12. 饱和蒸气压(kPa,25ºC):未确定 13. 燃烧热(KJ/mol):未确定 14. 临界温度(ºC):未确定 15. 临界压力(KPa):未确定 16. 油水(辛醇/水)分配系数的对数值:未确定 17. 爆炸上限(%,V/V):未确定 18. 爆炸下限(%,V/V):未确定 19. 溶解性:与水溶解 |
| 海关编码 | 2918990090 |
|---|---|
| 中文概述 | 2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 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:30.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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[A new possible strategy for prevention and preventive treatment of age-related macular degeneration resting on recent clinical and pathophysiological observations].
Orv. Hetil. 150(11) , 503-12, (2009) The beneficial effect achieved by the treatment of endothelial dysfunction in chronic cardiovascular diseases is already an evidence belonging to the basic treatment of the disease. Given the fact tha... |
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Solid-state stability of aspirin in the presence of excipients: kinetic interpretation, modeling, and prediction.
J. Pharm. Sci. 71(10) , 1096-101, (1982) Salicylsalicylic acid and acetylsalicylsalicylic acid were identified as decomposition products of aspirin when mixtures of the drug, with magnesium stearate, were stored in the solid state of 60 degr... |
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Aspirin--a national survey III: Determination of impurities in bulk aspirin and aspirin formulations by high-pressure liquid chromatography and spectrophotometry.
J. Pharm. Sci. 69(5) , 550-3, (1980) A quantitative high-pressure liquid chromatographic method, using a reversed-phase column and an aqueous acetic acid-methanol solution as the mobile phase, was employed for the determination of O-acet... |
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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
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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
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实验名称:ERK5 transcriptional activity HTS
来源:24565
靶标:N/A
External Id:ERK5 transcriptional activity-HTS
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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
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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
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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
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实验名称:EZH2/PRC2 methyltransferase inhibitors Measured in Biochemical System Using Plate Rea...
来源:Broad Institute
靶标:histone-lysine N-methyltransferase EZH2 isoform a [Homo sapiens]
External Id:2125-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Dicer-mediated maturation of pre-microRNA
来源:Center for Chemical Genomics, University of Michigan
靶标:N/A
External Id:TargetID_659_CEMA
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
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| Benzoic acid, 2-(acetyloxy)-, 2-carboxyphenyl ester |
| EINECS 208-493-6 |
| Diplosal Acetate |
| 2-(Acetyloxy)benzoic Acid 2-Carboxyphenyl Ester |
| 2-Carboxyphenyl o-acetylsalicylate |
| 2-Hydroxybenzoic Acid Acetate 2-Carboxyphenyl Ester |
| 2-(2-acetyloxybenzoyl)oxybenzoic acid |
| 2-[[2-(Acetyloxy)benzoyl]oxy]benzoic acid |
| 2-((2-Acetoxybenzoyl)oxy)benzoic acid |
| Salicylacetylsalicylic Acid |
| 2-[(2-Acetoxybenzoyl)oxy]benzoic acid |
| 2-{[2-(acetyloxy)benzoyl]oxy}benzoic acid |
| Acetylsalicylsalicylic acid |
| MFCD000143537 |