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

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HIT ID:HIT212666252
Cas No:910808-11-6
常用名:Netupitant metabolite Netupitant N-oxide
常用名:Netupitant metabolite Netupitant N-oxide
别名:Netupitant N-oxide
IUPAC:2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[6-(1-methyl-1-oxo-1lambda5-piperazin-4-yl)-4-(2-methylphenyl)pyridin-3-yl]propanamide
IUPAC:2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[6-(1-methyl-1-oxo-1lambda5-piperazin-4-yl)-4-(2-methylphenyl)pyridin-3-yl]propanamide
InChI key:FKUOVQVMCOPBJS-UHFFFAOYSA-N

分子式:C30H32F6N4O2
分子量:594.602
氢键供体数 (HBD):0
氢键受体数 (HBA):4
LogP:6.13228
SMILES:CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCN(C)(=O)CC1
SMILES:CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCN(C)(=O)CC1

Netupitant N-oxide is a highly selective antagonist of NK1 receptor, is Netupitant metabolite.

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