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化合物简介
Tolcapone (brand name Tasmar) is a drug used to treat Parkinson's disease (PD). It is a selective, potent and reversible nitro catechol type inhibitor of enzyme catechol-O-methyl transferase (COMT).
基本信息
CAS:134308-13-7
中文别名:甲磺酸达氟沙星.甲达沙星.甲磺酸丹诺沙星;(3,4-二羟基-5-硝基苯基)-(4-甲基苯基)甲酮;
英文别名:(3,4-Dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone;Tasmar;(3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone;3,4-Dihydroxy-4\'-methyl-5-nitrobenzophenone;1-(3,4-dihydroxy-5-nitrophenyl)-1-(4-methylphenyl)methanone;UNII-CIF6334OLY;Tasmar (TN);Methanone,(3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl);4\'-methyl-3,4-dihydroxy-5-nitro-benzophenone;[14C]-Tolcapone;Ro 40-7592;
分子式:C14H11NO5
分子量:273.241
精确质量:273.064
Psa:103.35
Logp:3.0686
中文别名:甲磺酸达氟沙星.甲达沙星.甲磺酸丹诺沙星;(3,4-二羟基-5-硝基苯基)-(4-甲基苯基)甲酮;
英文别名:(3,4-Dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone;Tasmar;(3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone;3,4-Dihydroxy-4\'-methyl-5-nitrobenzophenone;1-(3,4-dihydroxy-5-nitrophenyl)-1-(4-methylphenyl)methanone;UNII-CIF6334OLY;Tasmar (TN);Methanone,(3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl);4\'-methyl-3,4-dihydroxy-5-nitro-benzophenone;[14C]-Tolcapone;Ro 40-7592;
分子式:C14H11NO5
分子量:273.241
精确质量:273.064
Psa:103.35
Logp:3.0686
编号系统
MDL号:MFCD00866569
物化性质
密度:1.419g/cm3
沸点:485.6ºC at 760mmHg
熔点:126-128ºC
折射率:1.661
蒸汽压:4.72E-10mmHg at 25°C
沸点:485.6ºC at 760mmHg
熔点:126-128ºC
折射率:1.661
蒸汽压:4.72E-10mmHg at 25°C
安全信息
生产方法及用途
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图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict
