355806-00-7 (瑞舒伐他汀叔丁酯,Rosuvastatin tert-Butyl Ester)

CAS号:
355806-00-7
中文名称:
瑞舒伐他汀叔丁酯
英文名称:
Rosuvastatin tert-Butyl Ester
分子式:
C26H36FN3O6S
分子量:
537.643949508667

瑞舒伐他汀叔丁酯(355806-00-7)名称与标识符

名称

中文别名:
瑞舒伐他汀叔丁酯;(6E)-7-[4-(4-氟苯基)-6-异丙基-2-[甲基(甲磺酰)氨基]嘧啶-5-基]-(3R,5S)-3,5-二羟基庚-6-烯酸叔丁酯;(6E)-7-[4-(4- 氟苯基 )-6- 异丙基 -2-[ 甲基 ( 甲磺酰氨基 ) 嘧啶 -5- 基 ]-(3R,5S)-3,5- 二羟基庚 -6- 烯酸叔丁酯,R2;(6E)-7-[4-(4-氟苯基)-6-异丙基-2-[甲基(甲磺酰氨基)嘧啶-5-基]-(3R,5S)-3,5-二羟基庚-6-烯酸叔丁酯;2,4,4′-三氯联苯;罗苏伐他汀叔丁酯;罗素伐他汀钙中间体 R-3;瑞舒伐他汀钙R-2;8 R-3 (6E)-7-[4-(4-氟苯基)-6-异丙基-2-[甲基(甲磺酰)氨基]嘧啶-5-基]-(3R,5S)-3,5-二羟基庚-6-烯酸叔丁酯;罗苏伐他汀的叔丁基酯;瑞舒伐他汀杂质42;
英文别名:
(3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-[(methanesulfonyl) methylamino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid tert-butyl ester;tert-Butyl (6E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-(3R,5S)-3,5-dihydroxyhept-6-enoate;Rosuvastatin tert-Butyl Ester;tert-Butyl rosuvastatin;(3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-[(methanesulfonyl) methylamino]-pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoi...;(3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-[(methanesulfonyl) methylamino]-pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid tert-butyl ester;R-1.5: (+)-(3R, 5S), tert-butyl 7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulphonylamino)-pyrimidine-5-yl]-3, 5-dihydroxy-6(E)-heptenate;Rosuvastatin R-2;Rosuvastatin tert-Bu;Rosuvastatin calciuM interMediate R-3;Rosuvastatin intermediate R-3;Rosuvastatin t-Butyl Ester;tert-Butyl rosuvasta;ZD-8;Rosuvastatin Impurity 42;ent-Rosuvastatin tert-Butyl Ester;PubChem19670;C26H36FN3O6S;C25H34FN3O6S;IJHZGLLGELSZAF-OKLSWEBGSA-N;BCP13063;6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-;MFCD08460212;AS-15047;CS-0144285;615263-60-0;D70551;A24806;rel-tert-butyl (3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate;AKOS015841661;J-524818;SCHEMBL1025730;D97190;355806-00-7;AMY4204;DTXSID10467120;(3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-[(methanesulfonyl) methylamino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid tert-butyl est;rel-tert-butyl(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate;SCHEMBL1025729;tert-butyl (6E)-7-{4-(4-flurophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}(3R,5S)-3,5-dihydroxyhept-6-enoate;AC-3415;tert-butyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate;tert-butyl (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate;(3R,5S,E)-tert-butyl 7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate;AKOS015896307;

标识符

MDL:
MFCD08460212
InChIKey:
IJHZGLLGELSZAF-OKLSWEBGSA-N
Inchi:
1S/C26H36FN3O6S/c1-16(2)23-21(13-12-19(31)14-20(32)15-22(33)36-26(3,4)5)24(17-8-10-18(27)11-9-17)29-25(28-23)30(6)37(7,34)35/h8-13,16,19-20,31-32H,14-15H2,1-7H3/b13-12+/t19-,20-/m1/s1
SMILES:
S(C)(N(C)C1=NC(C2C=CC(=CC=2)F)=C(/C=C/[C@H](C[C@H](CC(=O)OC(C)(C)C)O)O)C(C(C)C)=N1)(=O)=O

瑞舒伐他汀叔丁酯(355806-00-7)物化性质

实验特性

  • LogP : 4.73960
  • PSA : 138.30000
  • 折射率 : 1.564
  • 沸点 : 704.1°C at 760 mmHg
  • 熔点 : No data available
  • 闪点 : 379.7±35.7 °C
  • 溶解度 : Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly, Heated), Methan
  • 颜色与性状 : Powder
  • 密度 : 1.259

计算特性

  • 精确分子量 : 537.23100
  • 氢键供体数量 : 2
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 12
  • 同位素质量 : 537.23088521g/mol
  • 重原子数量 : 37
  • 复杂度 : 865
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 1
  • 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) : 2.9
  • 拓扑分子极性表面积 : 138

瑞舒伐他汀叔丁酯(355806-00-7)海关数据

海关编码:
2935009090
海关数据:

中国海关编码:

2935009090

概述:

2935009090 其他磺(酰)胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:35.0%

申报要素:

品名, 成分含量, 用途

Summary:

2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

瑞舒伐他汀叔丁酯(355806-00-7)参考资料

Beilstein:
R192959
PubChem CID: