722504-46-3 ((R)-3''-羟基普伐他汀钠盐,(R)-3’’-Hydroxy Pravastatin Sodium Salt)

CAS号:
722504-46-3
中文名称:
(R)-3''-羟基普伐他汀钠盐
英文名称:
(R)-3’’-Hydroxy Pravastatin Sodium Salt
分子式:
C23H35NaO8
分子量:
462.508979082108

(R)-3''-羟基普伐他汀钠盐(722504-46-3)名称与标识符

名称

中文别名:
(R)-3''-羟基普伐他汀钠盐;(R)-3’’-羟基普伐他汀钠盐;3,7-二溴二苯并噻吩;普伐他汀杂质B;普伐他汀杂质;
英文别名:
(R)-3''-Hydroxy Pravastatin SodiuM Salt;(βR,δR,1S,2S,6S,8S,8aR)-1,2,6,7,8,8a-Hexahydro-β,δ,6-trihydroxy-8-[(2S,3R)-3-hydroxy-2-Methyl-1-oxobutoxy]-2-Methyl-1-naphthaleneheptanoic Acid SodiuM;(R)-3’’-Hydroxy Pravastatin Sodium Salt;(R)-3’’-HYDROXY PRAVASTATIN SODIUM SALT,WHITE SOLID;sodium,(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-8-[(2S,3R)-3-hydroxy-2-methylbutanoyl]oxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate;Pravastatin impurity;

标识符

InChIKey:
AIKHPBQZWYYTKO-OYKXKHFWSA-M
Inchi:
1S/C23H36O8.Na/c1-12-4-5-15-8-17(26)10-20(31-23(30)13(2)14(3)24)22(15)19(12)7-6-16(25)9-18(27)11-21(28)29;/h4-5,8,12-14,16-20,22,24-27H,6-7,9-11H2,1-3H3,(H,28,29);/q;+1/p-1/t12-,13-,14+,16+,17+,18+,19-,20-,22-;/m0./s1
SMILES:
[Na+].O(C([C@@H](C)[C@@H](C)O)=O)[C@H]1C[C@@H](C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@H](CC(=O)[O-])O)O)[C@@H]12)O

(R)-3''-羟基普伐他汀钠盐(722504-46-3)物化性质

实验特性

  • LogP : 0.38040
  • PSA : 147.35000
  • 熔点 : 101-104°C

计算特性

  • 精确分子量 : 466.25400

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