100499-89-6 (双氯芬酸杂质F,Aceclofenac Benzyl Ester)

CAS号:
100499-89-6
中文名称:
双氯芬酸杂质F
英文名称:
Aceclofenac Benzyl Ester
分子式:
C23H19Cl2NO4
分子量:
444.307264566422

双氯芬酸杂质F(100499-89-6)名称与标识符

名称

中文别名:
4-(三氟甲基)喹啉-2-甲酰肼;O-去甲基美托洛尔;醋氯芬酸苄酯;醋氯芬酸杂质F EP标准品;醋氯芬酸杂质F(EP) 标准品;醋氯酚酸杂质F;双氯芬酸杂质F;醋氯芬酸杂质F;
英文别名:
Aceclofenac Benzyl Ester;(2-oxo-2-phenylmethoxyethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate;1H-BENZIMIDAZOLE,5-METHOXY-2-[[(4-METHOXY-3,5-DIMETHYL-1-OXIDO-2-PYRIDINYL)METHYL]SULFINYL]-(9CI);Benzyl 2-(2-(2-(2,6-dichlorophenylamino)-phenyl)acetoxy)acetate;2-Oxo-2-(phenylmethoxy)ethyl 2-[(2,6-dichlorophenyl)amino]benzeneacetate;Benzyl {{{2-[(2,6-dichlorophenyl)amino]phenyl}acetyl}oxy}acetate;2-[(2,6-Dichlorophenyl)amino]benzeneacetic acid 2-oxo-2-(phenylmethoxy)ethyl ester;Aceclofenac Imp. F;ACECLOFENAC IMPURITY F [EP IMPURITY];Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, 2-oxo-2-(phenylmethoxy)ethyl ester;Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, 2-oxo-2-(phenylmethoxy)ethyl ester;SCHEMBL10782409;benzyl 2-(2-(2-(2,6-dichlorophenylamino)phenyl)acetoxy)acetate;ACECLOFENAC IMPURITY F(EP/BP);100499-89-6;2-(BENZYLOXY)-2-OXOETHYL 2-{2-[(2,6-DICHLOROPHENYL)AMINO]PHENYL}ACETATE;Benzyl [[[2-[(2,6-Dichlorophenyl)amino]phenyl]acetyl]oxy]acetate (Benzyl Ester of Aceclofenac);DTXSID80676222;2-(Benzyloxy)-2-oxoethyl [2-(2,6-dichloroanilino)phenyl]acetate;Benzyl [[[2-[(2,6-Dichlorophenyl)amino]phenyl]acetyl]oxy]acetate; Aceclofenac Imp. F (EP); Benzyl Ester of Aceclofenac; Aceclofenac Impurity F;AKOS027422457;Benzyl (((2-((2,6-dichlorophenyl)amino)phenyl)acetyl)oxy)acetate;Benzyl 2-(2-(2-((2,6-dichlorophenyl)amino)phenyl)acetoxy)acetate;J-000149;UNII-7T7ZHK6MQP;Benzyl Ester of Aceclofenac;Benzyl aceclofenac;Aceclofenac Impurity F;Aceclofenac impurity F [EP];7T7ZHK6MQP;

标识符

InChIKey:
RLKZSYGBKCIRFJ-UHFFFAOYSA-N
Inchi:
1S/C23H19Cl2NO4/c24-18-10-6-11-19(25)23(18)26-20-12-5-4-9-17(20)13-21(27)30-15-22(28)29-14-16-7-2-1-3-8-16/h1-12,26H,13-15H2
SMILES:
ClC1C=CC=C(C=1NC1=CC=CC=C1CC(=O)OCC(=O)OCC1C=CC=CC=1)Cl

双氯芬酸杂质F(100499-89-6)物化性质

实验特性

  • LogP : 5.63910
  • PSA : 64.63000
  • 沸点 : 539.3±50.0 °C at 760 mmHg
  • 蒸气压 : 0.0±1.4 mmHg at 25°C
  • 闪点 : 280.0±30.1 °C
  • 溶解度 : Insuluble (9.3E-5 g/L) (25 ºC),
  • 密度 : 1.348±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 443.06900
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 10
  • 同位素质量 : 443.0691135g/mol
  • 重原子数量 : 30
  • 复杂度 : 545
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 6.1
  • 拓扑分子极性表面积 : 64.6Ų

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双氯芬酸杂质F(100499-89-6)参考资料

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