Name: N-Desmethyl imatinib-d8
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT212666175
Cas No:1185103-28-9
常用名:N-Desmethyl imatinib-d8
别名:Norimatinib D8, N-Desmethyl imatinib D8, Imatinib metabolite N-Desmethyl imatinib D8
别名:Norimatinib D8, N-Desmethyl imatinib D8, Imatinib metabolite N-Desmethyl imatinib D8
IUPAC:N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl]methyl}benzamide
IUPAC:N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl]methyl}benzamide
InChI key:BQQYXPHRXIZMDM-DBVREXLBSA-N

分子式:C28H29N7O
分子量:487.637
氢键供体数 (HBD):3
氢键受体数 (HBA):7
LogP:3.994625
SMILES:[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)C1([2H])[2H]
SMILES:[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)C1([2H])[2H]

N-Desmethyl imatinib D8 is a deuterium labeled Imatinib metabolite N-Desmethyl Imatinib.

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