Name: Netupitant metabolite Monohydroxy Netupitant
Rating: 5 (10 reviews)

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HIT ID:HIT212666250
Cas No:910808-12-7
常用名:Netupitant metabolite Monohydroxy Netupitant
常用名:Netupitant metabolite Monohydroxy Netupitant
别名:Monohydroxy Netupitant
IUPAC:2-[3,5-bis(trifluoromethyl)phenyl]-N-{4-[2-(hydroxymethyl)phenyl]-6-(4-methylpiperazin-1-yl)pyridin-3-yl}-N,2-dimethylpropanamide
IUPAC:2-[3,5-bis(trifluoromethyl)phenyl]-N-{4-[2-(hydroxymethyl)phenyl]-6-(4-methylpiperazin-1-yl)pyridin-3-yl}-N,2-dimethylpropanamide
InChI key:CUGOZHKFGSQBGD-UHFFFAOYSA-N

分子式:C30H32F6N4O2
分子量:594.602
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:5.975884
SMILES:CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1CO)N1CCN(C)CC1
SMILES:CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1CO)N1CCN(C)CC1

Monohydroxy Netupitant is a highly selective antagonist of NK1 receptor, and is Netupitant metabolite.

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