Name: PCA50941
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212666426
Cas No:136941-85-0
常用名:PCA50941
IUPAC:3-(oxan-2-yl)methyl 5-[2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC:3-(oxan-2-yl)methyl 5-[2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
InChI key:SOOCCEZHZUEQKC-UHFFFAOYSA-N

分子式:C30H31N3O10S
分子量:625.65
氢键供体数 (HBD):1
氢键受体数 (HBA):9
LogP:3.1796167
SMILES:CC1=C(C(C(C(=O)OCC2CCCCO2)=C(C)N1)c1cccc(c1)[N+]([O-])=O)C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O |t:1,15|
SMILES:CC1=C(C(C(C(=O)OCC2CCCCO2)=C(C)N1)c1cccc(c1)[N+]([O-])=O)C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O |t:1,15|

PCA50941 is a 1,4-dihydropyridine derivative, treatment for cardiovascular disease.

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