非沙比妥结构式
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常用名 | 非沙比妥 | 英文名 | 2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-diethyl-1-phenyl |
|---|---|---|---|---|
| CAS号 | 357-67-5 | 分子量 | 260.28800 | |
| 密度 | 1.178g/cm3 | 沸点 | N/A | |
| 分子式 | C14H16N2O3 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
| 中文名 | 非沙比妥 |
|---|---|
| 英文名 | 5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione |
| 英文别名 | 更多 |
| 密度 | 1.178g/cm3 |
|---|---|
| 分子式 | C14H16N2O3 |
| 分子量 | 260.28800 |
| 精确质量 | 260.11600 |
| PSA | 66.48000 |
| LogP | 2.46960 |
| InChIKey | ILORKHQGIMGDFN-UHFFFAOYSA-N |
| SMILES | CCC1(CC)C(=O)NC(=O)N(c2ccccc2)C1=O |
| 折射率 | 1.535 |
| 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:3 4.可旋转化学键数量:3 5.互变异构体数量:3 6.拓扑分子极性表面积:66.5 7.重原子数量:19 8.表面电荷:0 9.复杂度:396 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 |
| 危险品运输编码 | UN 3249 |
|---|---|
| 包装等级 | III |
| 危险类别 | 6.1(b) |
| 海关编码 | 2933540000 |
| 非沙比妥上游产品 2 | |
|---|---|
| 非沙比妥下游产品 0 | |
| 海关编码 | 2933540000 |
|---|---|
| 中文概述 | 2933540000 其他丙二酰脲(巴比土酸)的衍生物以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。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 | 2933540000 other derivatives of malonylurea (barbituric acid); salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0% |
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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: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:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1100
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实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1101
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实验名称:Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
来源:Broad Institute
靶标:N/A
External Id:2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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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: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
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实验名称:qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
来源:NCGC
靶标:apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id:AMA1100
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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:abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id:ABHD4_INH_FP_1536_1X%INH PRUN
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| 5,5-diethyl-1-phenylbarbituric acid |
| 5,5-diethyl-1-phenyl-pyrimidine-2,4,6-trione |
| 5,5-diethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione |
| Phenylbarbital |
| Phenidiemalum |
| N-Phenylbarbital |
| N-Phenylbarbitone |
| Phenetharbital |
| Fedibaretta |
| Phenidiemal |
| Pyrictal |
| 5.5-Diaethyl-1-phenyl-barbitursaeure |
| phetharbital |
| Phenylbarbitone |