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CAS No.	英文名/中文名/SMILES	分子式	分子量
120511-84-4	2,2'-(5-(Bromomethyl)-1,3-phenylene)bis(2-methylpropanenitrile) 5-溴甲基-a,a,a',a'-四甲基-1,3-二乙氰基苯 CC(C)(C#N)C1=CC(=CC(=C1)CBr)C(C)(C)C#N	C₁₅H₁₇BRN₂	305.21
201677-59-0	(R)-N-[5-(2-Bromo-1-hydroxyethyl)-2-(phenylmethoxy)phenyl]formamide (R)-N-(2-(苄氧基)-5-(2-溴-1-羟基乙基)苯基)甲酰胺 C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(CBr)O)NC=O	C₁₆H₁₆BRNO₃	350.21
119302-24-8	(2b,3a,5a,16b,17b)-17-Acetoxy-3-hydroxy-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane (2b,3a,5a,16b,17b)-17-乙酰氧基-3-羟基-2-(4-吗啉基)-16-(1-吡咯烷基)雄甾烷 CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)N6CCCC6	C₂₉H₄₈N₂O₄	488.7
119302-20-4	(2b,3a,5a,16b,17b)-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-3,17-diol (2b,3a,5a,16b,17b)-2-(4-吗啉基)-16-(1-吡咯烷基)雄甾烷-3,17-二醇 CC12CCC3C(C1CC(C2O)N4CCCC4)CCC5C3(CC(C(C5)O)N6CCOCC6)C	C₂₇H₄₆N₂O₃	446.7
851443-04-4	Rosuvastatin ethyl ester 瑞舒伐他汀乙酯 CCOC(=O)CC(CC(C=CC1=C(N=C(N=C1C(C)C)N(C)S(=O)(=O)C)C2=CC=C(C=C2)F)O)O	C₂₄H₃₂FN₃O₆S	509.6
1391712-57-4	(S)-Methyl 2-Methoxy-5-((1-(4-phenyl-1H-imidazol-2-yl)ethylamino)methyl)benzoate 伊卢多啉中间体2 CC(C1=NC=C(N1)C2=CC=CC=C2)NCC3=CC(=C(C=C3)OC)C(=O)OC	C₂₁H₂₃N₃O₃	365.4
1807988-36-8	1-(1H-Benzo[d]imidazol-2-yl)-4-(3-methoxypropoxy)-3-methylpyridin-1-ium-2-carboxylate 雷贝拉唑杂质2 CC1=C(C=C[N+](=C1C(=O)[O-])C2=NC3=CC=CC=C3N2)OCCCOC	C₁₈H₁₉N₃O₄	341.4
156523-04-5	[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl](5-methyl-3-pyridinyl)methanone 卢帕他定杂质B CC1=CC(=CN=C1)C(=O)N2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2	C₂₆H₂₄ClN₃O	429.9
475084-96-9	Tert-butyl 2-(4-((5,6-diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)acetate 2-{4-[N-(5,6-二苯基吡嗪基)-N_异丙基氨基]正丁氧基}乙酸叔丁醇酯 CC(C)N(CCCCOCC(=O)OC(C)(C)C)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3	C₂₉H₃₇N₃O₃	475.6
851440-21-6	Rosuvastatin isopropyl ester 瑞舒伐他汀异丙酯 CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)OC(C)C)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C	C₂₅H₃₄FN₃O₆S	523.6