1262133-68-5 (卡培他滨 USP杂质,3’-O-(5’-Deoxy-a-D-ribofuranosyl) Capecitabine)

CAS号:
1262133-68-5
中文名称:
卡培他滨 USP杂质
英文名称:
3’-O-(5’-Deoxy-a-D-ribofuranosyl) Capecitabine
分子式:
C20H30FN3O9
分子量:
475.465309619904

卡培他滨 USP杂质(1262133-68-5)名称与标识符

名称

中文别名:
卡培他滨 USP杂质;3´-O-(5´-脱氧-α-D-呋喃核糖)卡培他滨;3'-O-(5'-脱氧-α-D-呋喃核糖)卡培他滨;3'-(5'-去氧阿尔法-D- ribofuranoyl)卡培他滨;3’-O-(5’-脱氧-alpha-D-呋喃核糖基)卡培他滨;3''-O-(5''-脱氧-α-D-呋喃核糖)卡培他滨;溶剂黄21;
英文别名:
CAPECITABINE related substance USP;3’-O-(5’-Deoxy-α-D-ribofuranosyl) Capecitabine;UK 383367;3'-(5'-Deoxy-Alfa-D-ribofuranoyl) Capecitabine;pentyl N-[1-[(2R,3R,4S,5R)-4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]oxy-3-hydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate;(1-(5-Deoxy-3-O-(5-deoxy-alpha-D-ribofuranosyl)-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)-carbamic acid pentyl ester;3'-O-(5'-Deoxy-a-D-ribofuranosyl) Capecitabine;5'-Deoxy-3'-O-(5-deoxy-alpha-D-ribofuranosyl)-5-fluoro-N-((pentyloxy)carbonyl)cytidine;Cytidine, 5'-deoxy-3'-O-(5-deoxy-alpha-D-ribofuranosyl)-5-fluoro-N-((pentyloxy)carbonyl)-;ER87HY9XV0;Pentyl (1-((2R,3R,4S,5R)-4-(((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)oxy)-3-hydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate;1262133-68-5;Q27277320;UNII-ER87HY9XV0;Cytidine, 5'-deoxy-3'-O-(5-deoxy-alpha-D-ribofuranosyl)-5-fluoro-N-[(pentyloxy)carbonyl]-; 5'-Deoxy-3'-O-(5-deoxy-alpha-D-ribofuranosyl)-5-fluoro-N-[(pentyloxy)carbonyl]cytidine; Pentyl [1-[5-Deoxy-3-O-(5-deoxy-alpha-D-ribofuranosyl)-beta-D-ribofuranosyl]-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate;SCHEMBL12302041;(1-(5-DEOXY-3-O-(5-DEOXY-.ALPHA.-D-RIBOFURANOSYL)-.BETA.-D-RIBOFURANOSYL)-5-FLUORO-2-OXO-1,2-DIHYDROPYRIMIDIN-4-YL)-CARBAMIC ACID PENTYL ESTER;CYTIDINE, 5'-DEOXY-3'-O-(5-DEOXY-.ALPHA.-D-RIBOFURANOSYL)-5-FLUORO-N-((PENTYLOXY)CARBONYL)-;3'-O-(5'-DEOXY-ALPHA-D-RIBOFURANOSYL) CAPECITABINE;5'-DEOXY-3'-O-(5-DEOXY-.ALPHA.-D-RIBOFURANOSYL)-5-FLUORO-N-((PENTYLOXY)CARBONYL)CYTIDINE;

标识符

InChIKey:
VTELESLWOUWJLQ-QGGDVEHGSA-N
Inchi:
1S/C20H30FN3O9/c1-4-5-6-7-30-20(29)23-16-11(21)8-24(19(28)22-16)17-14(27)15(10(3)31-17)33-18-13(26)12(25)9(2)32-18/h8-10,12-15,17-18,25-27H,4-7H2,1-3H3,(H,22,23,28,29)/t9-,10-,12-,13-,14-,15-,17-,18-/m1/s1
SMILES:
FC1C(NC(=O)OCCCCC)=NC(N(C=1)[C@H]1[C@@H]([C@@H]([C@@H](C)O1)O[C@@H]1[C@@H]([C@@H]([C@@H](C)O1)O)O)O)=O

卡培他滨 USP杂质(1262133-68-5)物化性质

实验特性

  • 熔点 : >65°C (dec.)

计算特性

  • 精确分子量 : 475.19660771g/mol
  • 氢键供体数量 : 4
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 9
  • 同位素质量 : 475.19660771g/mol
  • 重原子数量 : 33
  • 复杂度 : 795
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 8
  • 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) : 0.1
  • 拓扑分子极性表面积 : 159Ų

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卡培他滨 USP杂质(1262133-68-5)参考资料

Reaxys RN:
PubChem CID: