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CAS No.	英文名/中文名/SMILES	分子式	分子量
85960-17-4	sodium;(Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoate;(5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 5-(2-氯苯甲基)-4,5,6,7-四氢噻吩并[3,2-c]吡啶盐酸盐 CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O.CC1(CC1C(=O)NC(=CCCCCSCC(C(=O)O)N)C(=O)[O-])C.[Na+]	C₂₈H₄₂N₅NAO₉S₂	679.8
1421593-80-7	N-acetyl-Lenalidomide N-ACETYL LENALIDOMIDE CC(=O)NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O	C₁₅H₁₅N₃O₄	301.30
138-56-7	Trimethobenzamide 曲美苄胺 CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC	C₂₁H₂₈N₂O₅	388.5
1802242-47-2	Methyl 2-fluoro-4-(1-methoxy-2-methyl-1-oxopropan-2-ylamino)benzoate 2-氟-4-[(1-甲氧基-2-甲基-1-氧代-2-丙基)氨基]苯甲酸甲酯 CC(C)(C(=O)OC)NC1=CC(=C(C=C1)C(=O)OC)F	C₁₃H₁₆FNO₄	269.27
915087-16-0	Enzalutamide Impurity I 4-[3-(4-氰基-3-三氟甲基苯基)-5,5-二甲基-4-氧代-2-硫代咪唑烷-1-基]-N-甲基苯甲酰胺 CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)C(=O)NC)C3=CC(=C(C=C3)C#N)C(F)(F)F)C	C₂₁H₁₇F₃N₄O₂S	446.4
265989-44-4	para-Hydroxy Atorvastatin CalciuM Salt 阿托伐他汀杂质 CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)O.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)O.[Ca+2]	C₆₆H₆₈CAF₂N₄O₁₂	1187.3
1391053-45-4	(+/-)-5-Benzoyl-1-methoxy-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid rac 1-Methoxy Ketorolac COC1(CCN2C1=CC=C2C(=O)C3=CC=CC=C3)C(=O)O	C₁₆H₁₅NO₄	285.29
1373321-04-0	(2R,3R,4R,5S,6R)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol 达格列净杂质G CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)Cl	C₂₁H₂₅ClO₆	408.9
1809326-44-0	5-O-Desethyl Amlodipine 氨氯地平杂质K CC1=C(C(C(=C(N1)COCCN)C(=O)O)C2=CC=CC=C2Cl)C(=O)OC	C₁₈H₂₁ClN₂O₅	380.8
1036959-27-9	(2R)-Vildagliptin (2R)-Vildagliptin C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N	C₁₇H₂₅N₃O₂	303.4