Name: Idraparinux Na
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912218
Cas No:149920-56-9
常用名:Idraparinux Na
IUPAC:nonasodium (2R,3S,4S,5R,6R)-3-{[(2R,3R,4S,5R,6R)-5-{[(2R,3R,4S,5S,6S)-6-carboxylato-3,4-dimethoxy-5-{[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(sulfonatooxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-bis(sulfonatooxy)-6-[(sulfonatooxy)methyl]oxan-2-yl]oxy}-4,5-dimethoxy-6-{[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(sulfonatooxy)-2-[(sulfonatooxy)methyl]oxan-3-yl]oxy}oxane-2-carboxylate
IUPAC:nonasodium (2R,3S,4S,5R,6R)-3-{[(2R,3R,4S,5R,6R)-5-{[(2R,3R,4S,5S,6S)-6-carboxylato-3,4-dimethoxy-5-{[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-[(sulfonatooxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-bis(sulfonatooxy)-6-[(sulfonatooxy)methyl]oxan-2-yl]oxy}-4,5-dimethoxy-6-{[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(sulfonatooxy)-2-[(sulfonatooxy)methyl]oxan-3-yl]oxy}oxane-2-carboxylate
InChI key:InChIKey=MVPQUSQUURLQKF-MCPDASDXSA-E

分子式:C38H55Na9O49S7
分子量:1727.14
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OC)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OC)[C@H]2OC)C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O
SMILES:[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OC)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OC)[C@H]2OC)C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O

Idraparinux Na is an Antithrombotic, Indirect, Selective, Synthetic Factor Xa Inhibitor

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