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

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HIT ID:HIT212666253
Cas No:
常用名:Netupitant N-oxide D6
IUPAC:4-(5-{2-[3,5-bis(trifluoromethyl)phenyl]-2-(2H3)methyl-N-methyl(3,3,3-2H3)propanamido}-4-(2-methylphenyl)pyridin-2-yl)-1-methylpiperazin-1-ium-1-olate
IUPAC:4-(5-{2-[3,5-bis(trifluoromethyl)phenyl]-2-(2H3)methyl-N-methyl(3,3,3-2H3)propanamido}-4-(2-methylphenyl)pyridin-2-yl)-1-methylpiperazin-1-ium-1-olate
InChI key:FKUOVQVMCOPBJS-XERRXZQWSA-N

分子式:C30H32F6N4O2
分子量:600.639
氢键供体数 (HBD):0
氢键受体数 (HBA):4
LogP:6.13228
SMILES:[2H]C([2H])([2H])C(C(=O)N(C)c1cnc(cc1-c1ccccc1C)N1CC[N+](C)([O-])CC1)(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)N1CC[N+](C)([O-])CC1)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C([2H])([2H])[2H]

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

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