HIT ID: HIT217583217
Cas No: 1643757-72-5
分子式: C31H37Cl2F6N4O5P
分子量: 761.52
常用名: Fosnetupitant chloride monohydrochloride
常用名: Fosnetupitant chloride monohydrochloride
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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
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
InChI key: LBTQUZNIWCWBNN-UHFFFAOYSA-N
