Name: Fosnetupitant chloride monohydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT217583217
Cas No:1643757-72-5
常用名:Fosnetupitant chloride monohydrochloride
常用名:Fosnetupitant chloride monohydrochloride
别名:Pronetupitant chloride monohydrochloride
别名:Pronetupitant chloride monohydrochloride
IUPAC:4-(5-{2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamido}-4-(2-methylphenyl)pyridin-2-yl)-1-methyl-1-[(phosphonooxy)methyl]piperazin-1-ium hydrochloride chloride
IUPAC:4-(5-{2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamido}-4-(2-methylphenyl)pyridin-2-yl)-1-methyl-1-[(phosphonooxy)methyl]piperazin-1-ium hydrochloride chloride
InChI key:LBTQUZNIWCWBNN-UHFFFAOYSA-N

分子式:C31H37Cl2F6N4O5P
分子量:761.52
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.[Cl-].CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CC[N+](C)(COP(O)(O)=O)CC1
SMILES:Cl.[Cl-].CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CC[N+](C)(COP(O)(O)=O)CC1

Fosnetupitant chloride monohydrochloride（Pronetupitant chloride monohydrochloride）为NK1受体拮抗剂，对人NK1受体和NK3受体的pKi分别为9.5和6.1。它是奈妥匹坦的亚甲基磷酸酯前体。

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