101314-97-0 (辛伐他汀羟基酸的钠盐标准品,Simvastatin hydroxy acid sodium salt)

CAS号:
101314-97-0
中文名称:
辛伐他汀羟基酸的钠盐标准品
英文名称:
Simvastatin hydroxy acid sodium salt
分子式:
C25H41NaO6
分子量:
460.579219579697
简介:
Simvastatin hydroxy acid (Tenivastatin) sodium 是一种有效的 HMG-CoA 还原酶 (HMGCR) 抑制剂。Simvastatin hydroxy acid sodium 降低吲哚酚硫酸盐 (Indoxyl sulfate) 介导的活性氧 (ROS) 产生。Simvastatin hydroxy acid sodium 也可调节心肌细胞和转染 OATP3A1 基因的 HEK293 细胞的 OATP3A1 表达。

辛伐他汀羟基酸的钠盐标准品(101314-97-0)名称与标识符

名称

中文别名:
辛伐他汀羟基酸的钠盐标准品;辛伐他汀羟基酸钠盐;阿司咪唑;辛伐他汀-D6羟基钠盐;辛伐他汀羟基酸的钠盐;辛伐他汀杂质A;辛伐他汀杂质A(EP) 标准品;辛伐他汀钠盐;羟基辛伐他汀酸钠;辛伐他汀羟基酸钠盐-D6;辛伐他汀相关化合物A(USP);辛伐他汀钠;辛伐他汀羟基酸钠;
英文别名:
Simvastatin hydroxy acid sodium salt;Simvastatin (sodium salt);Simvastatin sodium;Simvastati;SIMVASTATIN, SODIUM SALT;FYSMQCWXGBXWLB-VMCZNHHFSA-M;Simvastatin Impurity as Sodium Salt;Simvastatin EP Impurity A Sodium Salt;SiMvastatin IMp. A (EP) as SodiuM Salt;Sodium (3R,5R)-7-{(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}-3,5-dihydroxyheptanoate;IMp. A (EP) as SodiuM Salt: (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-DiMethylbutanoyl)oxy]-2,6-diMethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic Acid SodiuM Salt (Tenivastatin SodiuM Salt;Simvastatin hydroxy acid sodium;Simvastatin Imp. A;sodium,(3R,5S)-7-[(1R,2R,6S,8S)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate;Simvastatin hydroxyl acid sodium salt-d6;1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-, monosodium salt, (betaR,deltaR,1S,2S,6R,8S,8aR)-;(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-Dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic Acid Sodium Salt;UNII-2L6JSY5YGL;J-000363;1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-.beta.,.delta.-dihydroxy-2,6-dimethyl-, monosodium salt, (.beta.R,.delta.R,1S,2S,6R,8S,8aR)-;DA-57880;Simvastatin (sodium);CS-0034900;CHEMBL487720;SCHEMBL10390708;(betaR,deltaR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic acid, monosodium salt;Simvastatin sodium?;RLWRROYWKHUVKF-OKDJMAGBSA-M;BDBM50455629;HY-115292;Q27254885;101314-97-0;2L6JSY5YGL;(.BETA.R,.DELTA.R,1S,2S,6R,8S,8AR)-8-(2,2-DIMETHYL-1-OXOBUTOXY)-1,2,6,7,8,8A-HEXAHYDRO-.BETA.,.DELTA.-DIHYDROXY-2,6-DIMETHYL-1-NAPHTHALENEHEPTANOIC ACID, MONOSODIUM SALT;sodium (3R,5R)-7-((1S,2S,6R,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate;simvastatinsodiumsalt;Simvastatin Imp. A (EP); (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-Dimethylbutanoyl)oxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic Acid Sodium Salt; Simvastatin Imp. A (EP) as Sodium Salt; Tenivastatin Sodium Salt; Simvastatin Hydroxy Acid Sodium Salt; Simvastatin Impurity A as Sodium Salt;Tenivastatin sodium;PD015663;Simvastatin hydroxy acid (sodium);J428.165I;sodium;(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate;

标识符

InChIKey:
FYSMQCWXGBXWLB-LYJWAQJISA-N
Inchi:
1S/C25H40O6.Na.H/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);;/t15-,16-,18+,19+,20-,21-,23-;;/m0../s1
SMILES:
O([C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@]12[H])C(=O)C(C)(C)CC.[NaH]

辛伐他汀羟基酸的钠盐标准品(101314-97-0)物化性质

实验特性

  • 熔点 : >122°C (dec.)
  • 溶解度 : DMSO (Slightly), Methanol (Slightly), Water (Slightly)

计算特性

  • 精确分子量 : 458.264433g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 11
  • 同位素质量 : 458.264433g/mol
  • 重原子数量 : 32
  • 复杂度 : 701
  • 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 : 7
  • 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 : 2
  • 拓扑分子极性表面积 : 107Ų
  • 分子量 : 458.6g/mol

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辛伐他汀羟基酸的钠盐标准品(101314-97-0)参考资料

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