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CAS No.	英文名/中文名/SMILES	分子式	分子量
25683-71-0	Terizidone 特立齐酮 C1C(C(=O)NO1)N=CC2=CC=C(C=C2)C=NC3CONC3=O	C₁₄H₁₄N₄O₄	302.29
575-75-7	Toldimfos sodium Toldimfos Sodium CC1=C(C=CC(=C1)N(C)C)[P+](=O)[O-].[Na+]	C₉H₁₂NNAO₂P+	220.16
124832-26-4	Valacyclovir Valaciclovir CC(C)C(C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N	C₁₃H₂₀N₆O₄	324.34
1020719-71-4	Oxcarbazepine-D4 (Major) Oxcarbazepine-D4 (Major) C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N	C₁₅H₁₂N₂O₂	256.29
1714147-50-8	(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)sulfonyl-methylamino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid S-Desmethyl-S-(2-hydroxy-2-methylpropyl) Rosuvastatin Sodium Salt CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)CC(C)(C)O	C₂₅H₃₄FN₃O₇S	539.6
76811-98-8	2-(4-(4-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoic acid Fexofenadinone CC(C)(C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)O	C₃₂H₃₇NO₄	499.6
356068-99-0	Sunitinib N-oxide Sunitinib N-Oxide CC[N+](CC)(CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C)[O-]	C₂₂H₂₇FN₄O₃	414.5
856414-35-2	N-Trityl Candesartan Ethyl Ester 三苯甲基坎地沙坦乙酯 CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)OCC	C₄₅H₃₈N₆O₃	710.8
89848-49-7	Isopropyl Itraconazole 异丙基伊曲康唑 CC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl	C₃₄H₃₆Cl₂N₈O₄	691.6
74855-91-7	Itraconazole Impurity C 丙基伊曲康唑 CCCN1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl	C₃₄H₃₆Cl₂N₈O₄	691.6