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化合物简介
Valdecoxib is a non-steroidal anti-inflammatory drug (NSAID) used in the treatment of osteoarthritis, rheumatoid arthritis, and painful menstruation and menstrual symptoms. It is a selective cyclooxygenase-2 inhibitor.
基本信息
CAS:181695-72-7
中文别名:4-(5-甲基-3-苯基-4-异噁唑)苯磺酰胺;伐地昔布杂质;甲溴后马托品;4-(5-甲基-3-苯基-1,2-恶唑-4-基)苯磺酰胺;伐地昔布;
英文别名:4-(5-methyl-3-phenylisoxazol-4-yl)benzensulfonamide;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide;Kudeq;Bextra;Valdecoxib(R);4-[5-methyl-3-phenylisoxazol-4-yl ] benzenesulfonamide;4-(4-sulfamoylphenyl)-5-methyl-3-phenyl-isoxazole;Valdecoxib;[14C]-Valdecoxib;Valdyn;
分子式:C16H14N2O3S
分子量:314.359
精确质量:314.073
Psa:94.57
Logp:4.7455
中文别名:4-(5-甲基-3-苯基-4-异噁唑)苯磺酰胺;伐地昔布杂质;甲溴后马托品;4-(5-甲基-3-苯基-1,2-恶唑-4-基)苯磺酰胺;伐地昔布;
英文别名:4-(5-methyl-3-phenylisoxazol-4-yl)benzensulfonamide;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide;Kudeq;Bextra;Valdecoxib(R);4-[5-methyl-3-phenylisoxazol-4-yl ] benzenesulfonamide;4-(4-sulfamoylphenyl)-5-methyl-3-phenyl-isoxazole;Valdecoxib;[14C]-Valdecoxib;Valdyn;
分子式:C16H14N2O3S
分子量:314.359
精确质量:314.073
Psa:94.57
Logp:4.7455
编号系统
MDL号:MFCD00950568
物化性质
外观与性状:白色结晶粉末
密度:1.303 g/cm3
沸点:481.2ºC at 760 mmHg
熔点:162-164ºC
闪点:244.8ºC
折射率:1.608
蒸汽压:2.03E-09mmHg at 25°C
密度:1.303 g/cm3
沸点:481.2ºC at 760 mmHg
熔点:162-164ºC
闪点:244.8ºC
折射率:1.608
蒸汽压:2.03E-09mmHg at 25°C
安全信息
海关编码:2935009090
危险标志:GHS08, GHS09
危险性防范说明:P273; P281; P501
危险性描述:H361d; H373; H410
信号词:Warning
危险标志:GHS08, GHS09
危险性防范说明:P273; P281; P501
危险性描述:H361d; H373; H410
信号词:Warning
生产方法及用途
用途
帕瑞昔布钠中间体。
帕瑞昔布钠中间体。
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上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict
