Name: Cariprazine D6
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671190
Cas No:
常用名:Cariprazine D6
别名:RGH-188 D6
IUPAC:3,3-di(2H3)methyl-1-[(1r,4r)-4-{2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl}cyclohexyl]urea
IUPAC:3,3-di(2H3)methyl-1-[(1r,4r)-4-{2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl}cyclohexyl]urea
InChI key:KPWSJANDNDDRMB-VVBJTBTCSA-N

分子式:C21H32Cl2N4O
分子量:433.45
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:4.05645
SMILES:[2H]C([2H])([2H])N(C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1)C([2H])([2H])[2H] |wU:8.7,wD:11.11,(-1.9,-3.29,;-2.67,-4.62,;-4,-3.85,;-3.44,-5.95,;-1.33,-5.39,;-1.33,-6.93,;-2.67,-7.7,;,-7.7,;,-9.24,;1.33,-10.01,;1.33,-11.55,;,-12.32,;,-13.86,;-1.33,-14.63,;-1.33,-16.17,;,-16.94,;,-18.48,;-1.33,-19.25,;-2.67,-18.48,;-2.67,-16.94,;-1.33,-20.79,;,-21.56,;,-23.1,;-1.33,-23.87,;-2.67,-23.1,;-4,-23.87,;-2.67,-21.56,;-4,-20.79,;-1.33,-11.55,;-1.33,-10.01,;,-4.62,;.77,-5.95,;1.33,-3.85,;-.77,-3.29,)|
SMILES:[2H]C([2H])([2H])N(C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1)C([2H])([2H])[2H] |wU:8.7,wD:11.11,(-1.9,-3.29,;-2.67,-4.62,;-4,-3.85,;-3.44,-5.95,;-1.33,-5.39,;-1.33,-6.93,;-2.67,-7.7,;,-7.7,;,-9.24,;1.33,-10.01,;1.33,-11.55,;,-12.32,;,-13.86,;-1.33,-14.63,;-1.33,-16.17,;,-16.94,;,-18.48,;-1.33,-19.25,;-2.67,-18.48,;-2.67,-16.94,;-1.33,-20.79,;,-21.56,;,-23.1,;-1.33,-23.87,;-2.67,-23.1,;-4,-23.87,;-2.67,-21.56,;-4,-20.79,;-1.33,-11.55,;-1.33,-10.01,;,-4.62,;.77,-5.95,;1.33,-3.85,;-.77,-3.29,)|

Cariprazine D6 (RGH-188 D6) is a deuterium-labeled Cariprazine. Cariprazine is an antipsychotic agent (D3 receptors, Ki: 0.085 nM; D2 receptors, Ki: 0.49 nM).

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