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化合物简介
The main active metabolite of Flavoxate hydrochloride (FX) in human.
基本信息
CAS:3468-01-7
中文别名:3-甲基-2-苯基色酮-8-羧酸;3-甲基黄酮-8-甲酸;3-甲基-4-氧代-2-苯基-4H-1-苯并呋喃-8-羧酸;
英文别名:4H-1-Benzopyran-8-carboxylic acid;3-methyl-4-oxo-2-phenyl;3-Methylflavone-8-carboxylicacid;3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid;3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid;3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid;3-Methylflavone-8-ca;3-Methylflavone-8-carboxylic Acid;3-Methyl-2-phenylchromone-8-carboxylic Acid;3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid;8-CARBOXY-3-METHYLFLAVONE;8-carboxy-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran;3-Methylflavone-8-carboxylic acid;3-Methylflavone-8-carboxylic;2-phenyl-3-methyl-4-oxo-4H-1-benzopyran-8-carboxylic acid;8-carboxyl-3-methylflavone;Flavoxate impurity A;
分子式:C17H12O4
分子量:280.275
精确质量:280.074
Psa:67.51
Logp:3.4666
中文别名:3-甲基-2-苯基色酮-8-羧酸;3-甲基黄酮-8-甲酸;3-甲基-4-氧代-2-苯基-4H-1-苯并呋喃-8-羧酸;
英文别名:4H-1-Benzopyran-8-carboxylic acid;3-methyl-4-oxo-2-phenyl;3-Methylflavone-8-carboxylicacid;3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid;3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid;3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid;3-Methylflavone-8-ca;3-Methylflavone-8-carboxylic Acid;3-Methyl-2-phenylchromone-8-carboxylic Acid;3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid;8-CARBOXY-3-METHYLFLAVONE;8-carboxy-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran;3-Methylflavone-8-carboxylic acid;3-Methylflavone-8-carboxylic;2-phenyl-3-methyl-4-oxo-4H-1-benzopyran-8-carboxylic acid;8-carboxyl-3-methylflavone;Flavoxate impurity A;
分子式:C17H12O4
分子量:280.275
精确质量:280.074
Psa:67.51
Logp:3.4666
编号系统
EINECS号:222-425-2
物化性质
外观与性状:白色结晶固体
密度:1.335 g/cm3
沸点:485.1ºC at 760 mmHg
熔点:234-236°C
闪点:183.3ºC
折射率:1.642
密度:1.335 g/cm3
沸点:485.1ºC at 760 mmHg
熔点:234-236°C
闪点:183.3ºC
折射率:1.642
安全信息
安全说明:S26-S36
危险类别码:R36/37/38
海关编码:2932999099
危险品标志:Xi
危险类别码:R36/37/38
海关编码:2932999099
危险品标志:Xi
生产方法及用途
用途
医药中间体。
医药中间体。
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict
