氯苯达诺结构式
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常用名 | 氯苯达诺 | 英文名 | clofedanol |
|---|---|---|---|---|
| CAS号 | 791-35-5 | 分子量 | 289.80000 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C17H20ClNO | 熔点 | 120° | |
| MSDS | N/A | 闪点 | N/A |
氯苯达诺用途氯苯二酚是一种口服有效镇咳剂。氯苯二酚可用于研究上呼吸道感染引起的急性咳嗽[1][2]。 |
| 中文名 | 氯苯达诺 |
|---|---|
| 英文名 | 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol |
| 英文别名 | 更多 |
| 描述 | 氯苯二酚是一种口服有效镇咳剂。氯苯二酚可用于研究上呼吸道感染引起的急性咳嗽[1][2]。 |
|---|---|
| 相关类别 | |
| 参考文献 |
| 熔点 | 120° |
|---|---|
| 分子式 | C17H20ClNO |
| 分子量 | 289.80000 |
| 精确质量 | 289.12300 |
| PSA | 23.47000 |
| LogP | 3.52760 |
| InChIKey | WRCHFMBCVFFYEQ-UHFFFAOYSA-N |
| SMILES | CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl |
| 计算化学 | 1.疏水参数计算参考值(XlogP):3.6 2.氢键供体数量:1 3.氢键受体数量:2 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:23.5 7.重原子数量:20 8.表面电荷:0 9.复杂度:291 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:1 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 |
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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: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: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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实验名称:MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Activator_SinglePoint...
来源:Broad Institute
靶标:N/A
External Id:2084-01_Activator_SinglePoint_HTS_Activity
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实验名称:Counterscreen for inhibitors of the fructose-bisphosphate aldolase (FBA) of M. tuberc...
来源:The Scripps Research Institute Molecular Screening Center
靶标:N/A
External Id:GDH-TPI_INH_ABS_1536_1X%INH CSRUN
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实验名称:qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
来源:NCGC
External Id:HERG01
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实验名称:uHTS identification of cystic fibrosis induced NFkb Inhibitors in a fluoresence assay
来源:Burnham Center for Chemical Genomics
靶标:cystic fibrosis transmembrane conductance regulator [Homo sapiens]
External Id:SBCCG-A764-CF-PAF-Primary-Assay
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ant...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_ANT_FLUO8_1536_1X%INH PRUN
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| 3-Dimethylamino-1-phenyl-1-<1-chlor-phenyl>-propanol-(1) |
| Clofedanolum |
| DL-1-Phenyl-1-(2-chlor-phenyl)-3-dimethylamino-propanol-(1) |
| Clophedianol base |
| 1-(2-Chlor-phenyl)-3-dimethylamino-1-phenyl-propan-1-ol |
| Ulo base |
| Chlofedanol |
| Dencyl |
| Clofedano |
| Tussistop |
| chlophedianol |
| chlophedianol hydrochloride |
| Clofedanol |
| Calmotusin |