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CAS No.	英文名/中文名/SMILES	分子式	分子量
1798-60-3	(R)-1-Hydroxy-1-phenylacetone (R)-1-hydroxy-1-phenylacetone CC(=O)C(C1=CC=CC=C1)O	C₉H₁₀O₂	150.17
1526916-57-3	methyl N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate 地瑞那韦杂质 CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC)O)S(=O)(=O)C2=CC=C(C=C2)N	C₂₂H₃₁N₃O₅S	449.6
2236-60-4	Pterin 2-氨基-4-羟基蝶啶 C1=CN=C2C(=N1)C(=O)NC(=N2)N	C₆H₅N₅O	163.14
26295-56-7	N-Trifluoroacetyladriamycin N-Trifluoroacetyl Doxorubicin CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)C(F)(F)F)O	C₂₉H₂₈F₃NO₁₂	639.5
102-62-5	1,2,3-Propanetriol, diacetate (2-acetyloxy-3-hydroxy-propyl) acetate CC(=O)OCC(CO)OC(=O)C	C₇H₁₂O₅	176.17
24197-95-3	4-[2-(Dimethylamino)ethoxy]benzonitrile 4-[2-(二甲基氨基)乙氧基]苯腈 CN(C)CCOC1=CC=C(C=C1)C#N	C₁₁H₁₄N₂O	190.24
1216898-82-6	Anastrozole Dimer Impurity 阿那曲唑二聚体杂质 CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)CC(C)(C#N)C3=CC(=CC(=C3)C(C)(C)C#N)CN4C=NC=N4	C₃₀H₃₁N₉	517.6
448184-48-3	Vardenafil N-oxide N-氧化伐地那非 CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CC[N+](CC4)(CC)[O-])OCC)C	C₂₃H₃₂N₆O₅S	504.6
425408-16-8	Atorvastatin-Amlodipine Adduct 阿托伐他汀-氨氯地平二聚体 CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCNC(=O)CC(CC(CCN3C(=C(C(=C3C(C)C)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)F)O)O	C₅₃H₅₈ClFN₄O₉	949.5
51135-38-7	7-Benzoylindolin-2-one 7-Benzoyloxindole C1C2=C(C(=CC=C2)C(=O)C3=CC=CC=C3)NC1=O	C₁₅H₁₁NO₂	237.25