123852-22-2 (4-叔丁基二甲基甲硅烷基-5-氯-4a-羟基-6-(羟基亚氨基)甲基辛伐他汀,4-tert-Butyldimethylsilyl-5’-chloro-4a’-hydroxy-6’-(hydroxyimino)methyl Simvastatin)

CAS号:
123852-22-2
中文名称:
4-叔丁基二甲基甲硅烷基-5-氯-4a-羟基-6-(羟基亚氨基)甲基辛伐他汀
英文名称:
4-tert-Butyldimethylsilyl-5’-chloro-4a’-hydroxy-6’-(hydroxyimino)methyl Simvastatin
分子式:
C31H52ClNO7Si
分子量:
614.285590171814

4-叔丁基二甲基甲硅烷基-5-氯-4a-羟基-6-(羟基亚氨基)甲基辛伐他汀(123852-22-2)名称与标识符

名称

中文别名:
4-叔丁基二甲基甲硅烷基-5-氯-4a-羟基-6-(羟基亚氨基)甲基辛伐他汀;
英文别名:
4-tert-Butyldimethylsilyl-5’-chloro-4a’-hydroxy-6’-(hydroxyimino)methyl Simvastatin;[(1S,3S,4S,4aS,7S,8S,8aS)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-4-chloro-4a-hydroxy-3-[(E)-hydroxyiminomethyl]-7-methyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-1-yl] 2,2-di;[1S-[1α,3α,4β,4aα,7β,8β(2S*,4S*)]]-2,2-DiMethylbutanoic Acid 4-Chloro-8-[2-[4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,4,4a,7,8,8a-octahydro-4a-hydroxy-3-[(hy;4-tert-ButyldiMethylsilyl-5'-chloro-4a'-hydroxy-6'-(hydroxyiMino)Methyl SiMvastatin;A(2S*,4S*)]]-2,2-Dimethylbutanoic Acid 4-Chloro-8-[2-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,4,4a,7,8,8a-octahydro-4a-hydroxy-3-[(hydroxyimino)methyl]-7-methyl-1-naphthalenyl Ester;A,3;A,4;A,4a;A,7;A,8;[1S-[1α,3α,4β,4aα,7β,8β(2S*,4S*)]]-2,2-DiMethylbutanoic Acid 4-Chloro-8-[2-[4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,4,4a,7,8,8a-octahydro-4a-hydroxy-3-[(hydroxyiMino)Methyl]-7-Methyl-1-naphthalenyl Ester;[1S-[1alpha,3alpha,4beta,4aalpha,7beta,8beta(2S*,4S*)]]-2,2-DiMethylbutanoic Acid 4-Chloro-8-[2-[4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,4,4a,7,8,8a-octahydro-4a-hydroxy-3-[(hydroxyiMino)Methyl]-7-Methyl-1-naphthalenyl Ester;123852-22-2;J-004990;[(1S,3S,4S,4aS,7S,8S,8aS)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-4-chloro-4a-hydroxy-3-[(E)-hydroxyiminomethyl]-7-methyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate;

标识符

InChIKey:
BJOYWJDUOUAWQJ-LHXKCWNGSA-N
Inchi:
1S/C31H52ClNO7Si/c1-10-30(6,7)28(35)39-24-15-20(18-33-37)27(32)31(36)14-13-19(2)23(26(24)31)12-11-21-16-22(17-25(34)38-21)40-41(8,9)29(3,4)5/h13-14,18-24,26-27,36-37H,10-12,15-17H2,1-9H3/b33-18+/t19-,20-,21+,22+,23-,24-,26-,27-,31-/m0/s1
SMILES:
Cl[C@H]1[C@H](/C=N/O)C[C@@H]([C@@H]2[C@@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@@H](C)C=C[C@]21O)OC(C(C)(C)CC)=O

4-叔丁基二甲基甲硅烷基-5-氯-4a-羟基-6-(羟基亚氨基)甲基辛伐他汀(123852-22-2)物化性质

实验特性

  • LogP : 6.46730
  • PSA : 114.65000

计算特性

  • 精确分子量 : 613.32000
  • 氢键供体数量 : 2
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 11
  • 同位素质量 : 613.3201572g/mol
  • 重原子数量 : 41
  • 复杂度 : 1010
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 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
  • 拓扑分子极性表面积 : 115Ų

4-叔丁基二甲基甲硅烷基-5-氯-4a-羟基-6-(羟基亚氨基)甲基辛伐他汀(123852-22-2)推荐厂家 更多厂家(2)

公司名称手机号/电话联系人QQ微信询单
湖北扬信医药科技有限公司 18672002673
0714-3996388
童飞 3003335020
询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单