162204-30-0 (5'-脱氧- 5 -氟-N -[(2-甲基丁)羰基]胞苷,5'-Deoxy-5-fluoro-N-(3-methylbutoxy)carbonylcytidine)

CAS号:
162204-30-0
中文名称:
5'-脱氧- 5 -氟-N -[(2-甲基丁)羰基]胞苷
英文名称:
5'-Deoxy-5-fluoro-N-(3-methylbutoxy)carbonylcytidine
分子式:
C15H22FN3O6
分子量:
359.35008764267

5'-脱氧- 5 -氟-N -[(2-甲基丁)羰基]胞苷(162204-30-0)名称与标识符

名称

中文别名:
(16α)-21-氯-17-[(2-呋喃基羰基)氧基]-16-甲基孕甾-1,4-二烯-3,11,20-三酮;5'-脱氧- 5 -氟-N -[(3-甲基丁)羰基]胞苷;卡培他滨杂质6;卡培他滨杂质F;5'-脱氧- 5 -氟-N -[(2-甲基丁)羰基]胞苷;5'-脱氧-5-氟-N4-(异戊氧基羰基)胞苷;卡培他滨EP杂质E;卡培他滨USP杂质F;5'-脱氧-5-氟-N-[(3-甲基丁氧基)羰基]胞苷;
英文别名:
5'-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine;3-methylbutyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate;5?-Deoxy-5-fluoro-N-[(3-methylbutoxy)carbonyl]cytidine;5'-Deoxy-5-fluoro-N-[(3-methylbutoxy)carbonyl]cytidine;BCP0008240;Cytidine, 5'-deoxy-5-fluoro-N-[(3-methylbutoxy)carbonyl]-;Cytidine,5'-deoxy-5-fluoro-N-[(3-methylbutoxy)carbonyl]- (9CI);5'-deoxy-5-fluoro-N4-(3-methyl-1-butyloxycarbonyl)cytidine;Isopentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate;UNII-T83E758HO7;Capecitabine iMpurity F;Capecitabine EP Impurity E;Capecitabine Impurity E(EP);Capecitabine 3-Methylbutyloxy Impurity;5'-Deoxy-5-fluoro-N4-(2-methyl-1-butuloxycarbonyl)cytidine;[1-(5-Deoxy--D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl]-carbamic Acid 3-Methylbutyl Ester;162204-30-0;AS-80468;SCHEMBL284973;DTXSID50167334;A899353;Q27289796;3-Methylbutyl [1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate;Isopentyl(1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate;5'-deoxy-5-fluoro-n4-(isopentyloxycarbonyl)cytidine;5'-deoxy-5-fluoro-n-((3-methylbutoxy)carbonyl)cytidine;3-methylbutyl N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl}carbamate;AKOS016008206;F19397;T83E758HO7;(5'-DEOXY-5-FLUORO-N4-(3-METHYL-1-BUTYLOXYCARBONYL)CYTIDINE);CYTIDINE, 5'-DEOXY-5-FLUORO-N-((3-METHYLBUTOXY)CARBONYL)-;CARBAMIC ACID, (1-(5-DEOXY-.BETA.-D-RIBOFURANOSYL)-5-FLUORO-1,2-DIHYDRO-2-OXO-4-PYRIMIDINYL)-, 3-METHYLBUTYL ESTER;CHEMBL2041684;3-METHYLBUTYL N-{1-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-METHYLOXOLAN-2-YL]-5-FLUORO-2-OXOPYRIMIDIN-4-YL}CARBAMATE;DA-49817;DTXCID3089825;CARBAMIC ACID, (1-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-FLUORO-1,2-DIHYDRO-2-OXO-4-PYRIMIDINYL)-, 3-METHYLBUTYL ESTER;

标识符

MDL:
MFCD23135645
InChIKey:
PPVCPOIDSSQXMR-UORFTKCHSA-N
Inchi:
1S/C15H22FN3O6/c1-7(2)4-5-24-15(23)18-12-9(16)6-19(14(22)17-12)13-11(21)10(20)8(3)25-13/h6-8,10-11,13,20-21H,4-5H2,1-3H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
SMILES:
FC1C(NC(=O)OCCC(C)C)=NC(N(C=1)[C@H]1[C@@H]([C@@H]([C@@H](C)O1)O)O)=O

5'-脱氧- 5 -氟-N -[(2-甲基丁)羰基]胞苷(162204-30-0)物化性质

实验特性

  • LogP : 0.62970
  • PSA : 126.40000
  • 折射率 : 1.601
  • 熔点 : 106-109°C
  • 溶解度 : Very 微溶 (0.29 g/L) (25 ºC),
  • 密度 : 1.49±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 359.14900
  • 氢键供体数量 : 3
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 7
  • 同位素质量 : 359.14926359g/mol
  • 重原子数量 : 25
  • 复杂度 : 594
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 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) : 0.5
  • 拓扑分子极性表面积 : 121Ų

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5'-脱氧- 5 -氟-N -[(2-甲基丁)羰基]胞苷(162204-30-0)参考资料

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