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CAS No.	英文名/中文名/SMILES	分子式	分子量
887769-34-8	Dehydro lercanidipine 脱氢乐卡地平 CC1=C(C(=C(C(=N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC	C₃₆H₃₉N₃O₆	609.7
129101-33-3	1-(3,4-dihydro-2H-chromen-2-yl)-2-[[2-(3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol 奈比洛尔杂质 C1CC2=CC=CC=C2OC1C(CNCC(C3CCC4=CC=CC=C4O3)O)O	C₂₂H₂₇NO₄	369.5
115729-52-7	Enalapril Diketopiperazine Enalapril Diketopiperazine CCOC(=O)C(CCC1=CC=CC=C1)N2C(C(=O)N3CCCC3C2=O)C	C₂₀H₂₆N₂O₄	358.4
938082-57-6	4-Methyl-1-(4-((4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)carbamoyl)benzyl)piperazine 1-oxide 伊马替尼(哌啶)-1-氧化物 CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C[N+]3(CCN(CC3)C)[O-])NC4=NC=CC(=N4)C5=CN=CC=C5	C₂₉H₃₁N₇O₂	509.6
99614-64-9	1,2,3,9-Tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one 1,2,3,9-Tetrahydro-9-methyl-3-methylene-4H-carbazol-4-one CN1C2=C(C3=CC=CC=C31)C(=O)C(=C)CC2	C₁₄H₁₃NO	211.26
1215677-72-7	N-Desethyl-N-propyl Oxybutynin N-Desethyl-N-propyl Oxybutynin CCCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O	C₂₃H₃₃NO₃	371.5
299-35-4	Thiothiamine 硫代硫胺素 CC1=C(SC(=S)N1CC2=CN=C(N=C2N)C)CCO	C₁₂H₁₆N₄OS₂	296.4
1797983-04-0	Darifenacin Impurity E 4-[2-di-[2-(2,3-Dihydrobenzofuran-4-yl)ethyl]aminoethyl)-3,3-diphenylpyrolidine-2-one C1COC2=C1C=C(C=C2)CCN(CCC3CNC(=O)C3(C4=CC=CC=C4)C5=CC=CC=C5)CCC6=CC7=C(C=C6)OCC7	C₃₈H₄₀N₂O₃	572.7
85955-59-5	Lisinopril R,S,S-isomer (R) Lisinopril C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O	C₂₁H₃₁N₃O₅	405.5
1797986-18-5	Aripiprazole Dimer 阿立哌唑二聚体 CC(C1=C(C(=C(C=C1)N2CCN(CC2)CCCCOC3=CC4=C(CCC(=O)N4)C=C3)Cl)Cl)C5=C(C(=C(C=C5)N6CCN(CC6)CCCCOC7=CC8=C(CCC(=O)N8)C=C7)Cl)Cl	C₄₈H₅₆Cl₄N₆O₄	922.8