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阿托伐他汀相关物质D | 148146-51-4

阿托伐他汀相关物质D结构式图片|148146-51-4结构式图片
阿托伐他汀相关物质D
Atorvastatin Epoxydione Impurity
148146-51-4
C26H22NO4F
431.45558
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:阿托伐他汀相关物质D结构式
11976726
名称和标识符
MDL MFCD18379184
InChIKey AAEQXEDPVFIFDK-UHFFFAOYSA-N
Inchi InChI=1S/C26H22FNO4/c1-17(2)22(29)26(24(31)28-21-11-7-4-8-12-21)25(32-26,19-9-5-3-6-10-19)23(30)18-13-15-20(27)16-14-18/h3-17H,1-2H3,(H,28,31)
SMILES CC(C(C1(C(C(C2=CC=C(F)C=C2)=O)(O1)C3=CC=CC=C3)C(NC4=CC=CC=C4)=O)=O)C
别名信息
- 中文别名 -
  • 3,5-二甲基-4-硝基吡唑
  • 阿托伐他汀钙杂质D
  • 阿托伐他汀钙杂质D(EP) 标准品
  • 阿托伐他汀环氧二酮杂质
  • 阿托伐他汀相关物质D USP标准品
  • 阿托伐他汀杂质D
  • 阿托伐他汀相关物质D
  • 3-(4-氟苯甲酰)-2-(2-甲基-1-氧代丙基)-N,3-二苯基-2-环氧乙烷甲酰胺
  • 阿托伐他汀EP杂质D
  • 阿托伐他汀钙EP杂质D
- 英文别名 -
  • Oxiranecarboxamide,3-(4-fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyl-
  • Atorvastatin EP Imp D
  • 3-(4-fluorobenzoyl)-2-(2-methylpropanoyl)-N,3-diphenyloxirane-2-carboxamide
  • Atorvastatin impurity D
  • Epoxide iMpurity, or 3-(4-Fluorobenzoyl)-2-isobutyryl-3-phenyl-oxirane-2-carboxylic acid phenylaMide
  • Atorvastatin Epoxide
  • Atorvastatin EP IMpurity D
  • Atorvastatin IMpurity-D(EP)
  • Atorvastatin IMpurity-C(EP)
  • Atorvastatin Related CoMpound D
  • Atorvastatin Epoxydione IMpurity
  • Atorvastatin Diketo Epoxide Impurity
  • 3-(4-fluorobenzoyl)-2-isobutyryl-N,3-diphenyloxirane-2-carboxamide
  • 3-(4-Fluorobenzoyl)-2-(2-Methyl-1-oxopropyl)-N,3-diphenyloxiranecarboxaMide
  • SCHEMBL2546242
  • SCHEMBL2546242
  • SCHEMBL2546242
  • ATORVASTATIN CALCIUM IMPURITY D [EP IMPURITY]
  • ATORVASTATIN CALCIUM IMPURITY D [EP IMPURITY]
  • ATORVASTATIN CALCIUM IMPURITY D [EP IMPURITY]
  • NS00101001
  • NS00101001
  • NS00101001
  • 3-(4-Fluorobenzoyl)-2-isobutyryl-N,3-diphenyloxirane-2-carboxamide
  • 3-(4-Fluorobenzoyl)-2-isobutyryl-N,3-diphenyloxirane-2-carboxamide
  • 3-(4-Fluorobenzoyl)-2-isobutyryl-N,3-diphenyloxirane-2-carboxamide
  • ?-(4-Isobutylphenyl)ethanol
  • ?-(4-Isobutylphenyl)ethanol
  • ?-(4-Isobutylphenyl)ethanol
  • Atorvastatin calcium trihydrate impurity D [EP]
  • Atorvastatin calcium trihydrate impurity D [EP]
  • Atorvastatin calcium trihydrate impurity D [EP]
  • 3-((4-Fluorophenyl)carbonyl)-2-(2-methylpropanoyl)-N,3-diphenyloxirane-2-carboxamide
  • 3-((4-Fluorophenyl)carbonyl)-2-(2-methylpropanoyl)-N,3-diphenyloxirane-2-carboxamide
  • 3-((4-Fluorophenyl)carbonyl)-2-(2-methylpropanoyl)-N,3-diphenyloxirane-2-carboxamide
  • 148146-51-4
  • 148146-51-4
  • 148146-51-4
  • Oxiranecarboxamide, 3-(4-fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyl-
  • Oxiranecarboxamide, 3-(4-fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyl-
  • Oxiranecarboxamide, 3-(4-fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyl-
  • A1-01742
  • A1-01742
  • A1-01742
  • Q27290103
  • Q27290103
  • Q27290103
  • Atorvastatin EP Impurity E
  • Atorvastatin EP Impurity E
  • Atorvastatin EP Impurity E
  • Atorvastatin Epoxydione Impurity
  • Atorvastatin Epoxydione Impurity
  • Atorvastatin Epoxydione Impurity
  • A1-01743
  • A1-01743
  • A1-01743
  • 3-[(4-Fluorophenyl)carbonyl]-2-(2-methylpropanoyl)-N,3-diphenyloxirane-2-carboxamide
  • 3-[(4-Fluorophenyl)carbonyl]-2-(2-methylpropanoyl)-N,3-diphenyloxirane-2-carboxamide
  • 3-[(4-Fluorophenyl)carbonyl]-2-(2-methylpropanoyl)-N,3-diphenyloxirane-2-carboxamide
  • UNII-TP7T4AJ7RD
  • UNII-TP7T4AJ7RD
  • UNII-TP7T4AJ7RD
  • TP7T4AJ7RD
  • TP7T4AJ7RD
  • TP7T4AJ7RD
  • FT-0662331
  • FT-0662331
  • FT-0662331
  • 2-Oxiranecarboxamide, 3-(4-fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyl-
  • 2-Oxiranecarboxamide, 3-(4-fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyl-
  • 2-Oxiranecarboxamide, 3-(4-fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyl-
  • 3-(4-Fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyloxiranecarboxamide
  • 3-(4-Fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyloxiranecarboxamide
  • 3-(4-Fluorobenzoyl)-2-(2-methyl-1-oxopropyl)-N,3-diphenyloxiranecarboxamide
物化性质
实验特性
LogP 5.18620
PSA 79.26000
沸点 NA
熔点 NA
溶解度 Insuluble (2.8E-4 g/L) (25 ºC),
密度 1.308±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 431.15300
氢键供体数量 1
氢键受体数量 5
可旋转化学键数量 8
同位素质量 431.15328635g/mol
重原子数量 32
复杂度 719
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 2
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) 5.2
拓扑分子极性表面积 75.8Ų
专业数据库参考
PubChemId 11976726
参考资料
Reaxys RN
Beilstein 6162108
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