Name: N-desmethyl Netupitant D6
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212666176
Cas No:
常用名:N-desmethyl Netupitant D6
IUPAC:2-[3,5-bis(trifluoromethyl)phenyl]-2-(2H3)methyl-N-methyl-N-[4-(2-methylphenyl)-6-(piperazin-1-yl)pyridin-3-yl](2H3)propanamide
IUPAC:2-[3,5-bis(trifluoromethyl)phenyl]-2-(2H3)methyl-N-methyl-N-[4-(2-methylphenyl)-6-(piperazin-1-yl)pyridin-3-yl](2H3)propanamide
InChI key:SRVSDBHUBFLSFE-XERRXZQWSA-N

分子式:C29H30F6N4O
分子量:570.613
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:6.873607
SMILES:[2H]C([2H])([2H])C(C(=O)N(C)c1cnc(cc1-c1ccccc1C)N1CCNCC1)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C([2H])([2H])[2H]
SMILES:[2H]C([2H])([2H])C(C(=O)N(C)c1cnc(cc1-c1ccccc1C)N1CCNCC1)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C([2H])([2H])[2H]

N-desmethyl Netupitant D6 is the deuterium labeled N-desmethyl Netupitant, which is a Netupitant metabolite.

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