Edoxaban Tosylate Monohydrate
HIT212005348
sdf文件结构编辑类似物检索
HIT ID: HIT212005348
Cas No: 1229194-11-9
分子式: C31H40ClN7O8S2
分子量: 738.27
常用名: Edoxaban Tosylate Monohydrate
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 0.90165955
IUPAC: 4-methylbenzene-1-sulfonic acid N'-(5-chloropyridin-2-yl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-2-amido}cyclohexyl]ethanediamide hydrate
IUPAC: 4-methylbenzene-1-sulfonic acid N'-(5-chloropyridin-2-yl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-2-amido}cyclohexyl]ethanediamide hydrate
SMILES: O.Cc1ccc(cc1)S(O)(=O)=O.CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
SMILES: O.Cc1ccc(cc1)S(O)(=O)=O.CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
InChI key: PSMMNJNZVZZNOI-SJILXJHISA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
1851-3天 购物车
BIONET-Key Organics
BB
116693-5周 购物车
TargetMol | Target Loading
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