Name: Solifenacin hydrochloride
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212709321
Cas No:180468-39-7
常用名:Solifenacin hydrochloride
IUPAC:(1R,3R,4s)-1-azabicyclo[2.2.2]octan-3-yl (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate hydrochloride
IUPAC:(1R,3R,4s)-1-azabicyclo[2.2.2]octan-3-yl (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate hydrochloride
InChI key:YAUBKMSXTZQZEB-VROPFNGYSA-N

分子式:C23H27ClN2O2
分子量:398.93
氢键供体数 (HBD):0
氢键受体数 (HBA):2
LogP:3.9606059
SMILES:Cl.[H][C@@]12CC[N@@](CC1)C[C@@H]2OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 |wU:2.0,wD:9.10,5.7,22.25,(8.16,,;2.65,-.88,;2.65,-2.42,;3.98,-3.19,;3.98,-4.73,;2.65,-5.5,;2.91,-4.47,;2.91,-3.45,;1.32,-4.73,;1.32,-3.19,;-.02,-2.42,;-.02,-.88,;1.32,-.11,;-1.35,-.11,;-2.69,-.88,;-4.02,-.11,;-4.02,1.43,;-5.35,2.2,;-5.35,3.74,;-4.02,4.51,;-2.69,3.74,;-2.69,2.2,;-1.35,1.43,;-.02,2.2,;-.02,3.74,;1.32,4.51,;2.65,3.74,;2.65,2.2,;1.32,1.43,)|
SMILES:Cl.[H][C@@]12CC[N@@](CC1)C[C@@H]2OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 |wU:2.0,wD:9.10,5.7,22.25,(8.16,,;2.65,-.88,;2.65,-2.42,;3.98,-3.19,;3.98,-4.73,;2.65,-5.5,;2.91,-4.47,;2.91,-3.45,;1.32,-4.73,;1.32,-3.19,;-.02,-2.42,;-.02,-.88,;1.32,-.11,;-1.35,-.11,;-2.69,-.88,;-4.02,-.11,;-4.02,1.43,;-5.35,2.2,;-5.35,3.74,;-4.02,4.51,;-2.69,3.74,;-2.69,2.2,;-1.35,1.43,;-.02,2.2,;-.02,3.74,;1.32,4.51,;2.65,3.74,;2.65,2.2,;1.32,1.43,)|

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