Name: Sacubitril/Valsartan
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212650505
Cas No:936623-90-4
常用名:Sacubitril/Valsartan
别名:沙库必曲/缬沙坦, Valsartan, Sacubitril mixture with Valsartan, Sacubitril, LCZ696
别名:沙库必曲/缬沙坦, Valsartan, Sacubitril mixture with Valsartan, Sacubitril, LCZ696
IUPAC:hexasodium bis(5-(4'-{[N-(1-carboxylato-2-methylpropyl)pentanamido]methyl}-[1,1'-biphenyl]-2-yl)-2H-1,2,3,4-tetrazol-2-ide) bis(3-[(1-{[1,1'-biphenyl]-4-yl}-5-ethoxy-4-methyl-5-oxopentan-2-yl)carbamoyl]propanoate) pentahydrate
IUPAC:hexasodium bis(5-(4'-{[N-(1-carboxylato-2-methylpropyl)pentanamido]methyl}-[1,1'-biphenyl]-2-yl)-2H-1,2,3,4-tetrazol-2-ide) bis(3-[(1-{[1,1'-biphenyl]-4-yl}-5-ethoxy-4-methyl-5-oxopentan-2-yl)carbamoyl]propanoate) pentahydrate
InChI key:PVRKRUBVWABOKS-UHFFFAOYSA-H

分子式:C96H126N12Na6O21
分子量:1922.066
氢键供体数 (HBD):0
氢键受体数 (HBA):7
LogP:5.269379
SMILES:O.O.O.O.O.[NaH+].[NaH+].[NaH+].[NaH+].[NaH+].[NaH+].CCOC(=O)C(C)CC(Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC([O-])=O.CCOC(=O)C(C)CC(Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC([O-])=O.CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C(C(C)C)C([O-])=O.CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C(C(C)C)C([O-])=OjcExt:v:5:1,6:1,7:1,8:1,9:1,10:1
SMILES:O.O.O.O.O.[NaH+].[NaH+].[NaH+].[NaH+].[NaH+].[NaH+].CCOC(=O)C(C)CC(Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC([O-])=O.CCOC(=O)C(C)CC(Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC([O-])=O.CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C(C(C)C)C([O-])=O.CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C(C(C)C)C([O-])=OjcExt:v:5:1,6:1,7:1,8:1,9:1,10:1

Sacubitril/Valsartan (LCZ696)，以1:1摩尔比由Valsartan（一种ARB）和Sacubitril（AHU377）组成，为创新口服血管紧张素受体-脑啡肽酶（ARN）双重抑制剂，旨在治疗高血压与心力衰竭。其作用机制包括抑制炎症、氧化应激及细胞凋亡，有助于改善糖尿病心肌病。

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