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N-脱甲基奈妥吡坦
Netupitant metabolite N-desmethyl Netupitant
2-[3,5-Bis(trifluoromethyl)phenyl]-N-methyl-N-[6-(piperazin-1-yl)-4-o-tolylpyridin-3-yl]isobutyramide, N,α,α-Trimethyl-N-[4-(2-methylphenyl)-6-(1-piperazinyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)-benzeneacetamide, Netupitant metabolite N-desmethyl Netupitant
CAS号: 290296-72-9
IUPAC名称: 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-piperazin-1-yl-3-pyridinyl]propanamide
分子式: C29H30F6N4O
分子量: 564.56500
InChI: InChI=1S/C29H30F6N4O/c1-18-7-5-6-8-22(18)23-16-25(39-11-9-36-10-12-39)37-17-24(23)38(4)26(40)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17,36H,9-12H2,1-4H3
InChIKey: SRVSDBHUBFLSFE-UHFFFAOYSA-N
SMILES: CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCNCC4
EINECS: -
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