8-氯-1-苯基-1H-1,5-苯并二氮杂卓-2,4(3h,5h)-二酮
8-氯-1-苯基-1H-1,5-苯并二氮杂卓-2,4(3h,5h)-二酮结构式
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常用名 | 8-氯-1-苯基-1H-1,5-苯并二氮杂卓-2,4(3h,5h)-二酮 | 英文名 | N-Desmethyl Clobazam |
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| CAS号 | 22316-55-8 | 分子量 | 286.71300 | |
| 密度 | 1.363 g/cm3 | 沸点 | 601.8ºC at 760 mmHg | |
| 分子式 | C15H11ClN2O2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 317.7ºC | |
| 符号 |
GHS02, GHS07 |
信号词 | Danger |
用途N-Desmethylclobazam is a major active metabolite of clobazam, produced primarily by the action of cytochrome P450 isoform 3A4. |
| 中文名 | 8-氯-1-苯基-1H-1,5-苯并二氮杂卓-2,4(3h,5h)-二酮 |
|---|---|
| 英文名 | N-Desmethyl Clobazam |
| 英文别名 | 更多 |
| 密度 | 1.363 g/cm3 |
|---|---|
| 沸点 | 601.8ºC at 760 mmHg |
| 分子式 | C15H11ClN2O2 |
| 分子量 | 286.71300 |
| 闪点 | 317.7ºC |
| 精确质量 | 286.05100 |
| PSA | 52.90000 |
| LogP | 3.49700 |
| InChIKey | RRTVVRIFVKKTJK-UHFFFAOYSA-N |
| SMILES | O=C1CC(=O)N(c2ccccc2)c2cc(Cl)ccc2N1 |
| 蒸汽压 | 1.95E-14mmHg at 25°C |
| 折射率 | 1.631 |
| 储存条件 | -20°C，密闭，干燥 |
| 符号 |
GHS02, GHS07 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H225-H302 + H312 + H332-H319 |
| 警示性声明 | P210-P261-P302 + P352 + P312-P304 + P340 + P312-P337 + P313-P403 + P235 |
| 危险品运输编码 | UN 1648 3 / PGII |
| 海关编码 | 2933990090 |
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8-氯-1-苯基-1H-1,5... 22316-55-8 |
| 文献：BOEHRINGER INGELHEIM INTERNATIONAL GMBH; SIMONEAU, Bruno; DEROY, Patrick; FADER, Lee; FAUCHER, Anne-Marie; GAGNON, Alexandre; GRAND-MAITRE, Chantal; KAWAI, Steven; LANDRY, Serge; MERCIER, Jean-Francois; RANCOURT, Jean Patent: WO2011/100838 A1, 2011 ; Location in patent: Page/Page column 26 ; |
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8-氯-1-苯基-1H-1,5... 22316-55-8 |
| 文献：Poupaert, Jacques H.; Guiot, Pierre; Jacqmin, Philippe; Dumont, Pierre European Journal of Medicinal Chemistry, 1988 , vol. 23, p. 417 - 420 |
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8-氯-1-苯基-1H-1,5... 22316-55-8 |
| 文献：Fader, Lee D.; Bethell, Richard; Bonneau, Pierre; Boes, Michael; Bousquet, Yves; Cordingley, Michael G.; Coulombe, Rene; Deroy, Patrick; Faucher, Anne-Marie; Gagnon, Alexandre; Goudreau, Nathalie; Grand-Maitre, Chantal; Guse, Ingrid; Hucke, Oliver; Kawai, Stephen H.; Lacoste, Jean-Eric; Landry, Serge; Lemke, Christopher T.; Malenfant, Eric; Mason, Stephen; Morin, Sebastien; O'Meara, Jeff; Simoneau, Bruno; Titolo, Steve; Yoakim, Christiane Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 1 p. 398 - 404 |
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8-氯-1-苯基-1H-1,5... 22316-55-8 |
| 文献：Fader, Lee D.; Bethell, Richard; Bonneau, Pierre; Boes, Michael; Bousquet, Yves; Cordingley, Michael G.; Coulombe, Rene; Deroy, Patrick; Faucher, Anne-Marie; Gagnon, Alexandre; Goudreau, Nathalie; Grand-Maitre, Chantal; Guse, Ingrid; Hucke, Oliver; Kawai, Stephen H.; Lacoste, Jean-Eric; Landry, Serge; Lemke, Christopher T.; Malenfant, Eric; Mason, Stephen; Morin, Sebastien; O'Meara, Jeff; Simoneau, Bruno; Titolo, Steve; Yoakim, Christiane Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 1 p. 398 - 404 |
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~%
8-氯-1-苯基-1H-1,5... 22316-55-8 |
| 文献：BOEHRINGER INGELHEIM INTERNATIONAL GMBH; SIMONEAU, Bruno; DEROY, Patrick; FADER, Lee; FAUCHER, Anne-Marie; GAGNON, Alexandre; GRAND-MAITRE, Chantal; KAWAI, Steven; LANDRY, Serge; MERCIER, Jean-Francois; RANCOURT, Jean Patent: WO2011/100838 A1, 2011 ; |
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~%
8-氯-1-苯基-1H-1,5... 22316-55-8 |
| 文献：BOEHRINGER INGELHEIM INTERNATIONAL GMBH; SIMONEAU, Bruno; DEROY, Patrick; FADER, Lee; FAUCHER, Anne-Marie; GAGNON, Alexandre; GRAND-MAITRE, Chantal; KAWAI, Steven; LANDRY, Serge; MERCIER, Jean-Francois; RANCOURT, Jean Patent: WO2011/100838 A1, 2011 ; |
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~%
8-氯-1-苯基-1H-1,5... 22316-55-8 |
| 文献：Poupaert, Jacques H.; Guiot, Pierre; Jacqmin, Philippe; Dumont, Pierre European Journal of Medicinal Chemistry, 1988 , vol. 23, p. 417 - 420 |
| 上游产品 7 | |
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| 下游产品 7 | |
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CAS号36985-33-8| 海关编码 | 2933990090 |
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| 中文概述 | 2933990090. 其他仅含氮杂原子的杂环化合物. 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 | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Blood concentrations of clobazam and norclobazam in a lethal case involving clobazam, meprobamate and clorazepate.
Leg. Med. (Tokyo.) 12(6) , 300-4, (2010) Clobazam is a benzodiazepine with anti-anxiety and anticonvulsant properties marketed in several countries. Norclobazam, a metabolite of clobazam, has similar pharmacological activity but weaker sedat... |
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Simultaneous determination of clobazam and its major metabolite in human plasma by a rapid HPLC method.
J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 823(2) , 167-71, (2005) A rapid and specific HPLC method has been developed and validated for simultaneous determination of clobazam, the anticonvulsant agent, and its major metabolite in human plasma. The sample preparation... |
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A major influence of CYP2C19 genotype on the steady-state concentration of N-desmethylclobazam.
Brain Dev. 26(8) , 530-4, (2004) N-desmethylclobazam (N-CLB), the major metabolite of clobazam (CLB), exerts a large influence on therapeutic and adverse effects of CLB. A substantial inter-individual variability has been observed in... |
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实验名称：Drug level in Homo sapiens (human) whole blood assessed as retention time by UPLC-TOF...
来源：ChEMBL
靶标：Whole blood
External Id：CHEMBL3062764
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实验名称：Inhibition of Escherichia coli Stx2 in human HeLa cells assessed as stimulation of pr...
来源：ChEMBL
靶标：N/A
External Id：CHEMBL4621652
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| N-Desmethylclobazam |
| 7-Chloro-5-phenyl-1,5-dihydro-3H-1,5-benzodiazepine-2,4-dione N-Desmethylclobazam |
| 7-chloro-5-phenyl-1H-1,5-benzodiazepine-2,4-dione |
| Clobazam impurity A |
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- 上海阿拉丁生化科技股份有限公司
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- 产品名：N-Desmethylclobazam
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- 产品名：N-Desmethylclobazam
- 纯度：98.0%
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