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CAS No.	英文名/中文名/SMILES	分子式	分子量
144457-28-3	(S)-2-(2-Chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid 氯吡格雷酸 C1CN(CC2=C1SC=C2)C(C3=CC=CC=C3Cl)C(=O)O	C₁₅H₁₄ClNO₂S	307.8
1607007-18-0	Tenofovir alafenamide PMPA impurity 替诺福韦拉酚氨酯（替诺福韦艾拉酚胺）杂质19 CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OP(=O)(COC(C)CN3C=NC4=C(N=CN=C43)N)O	C₁₈H₂₆N₁₀O₇P₂	556.4
1616703-93-5	2-(((1S,2S,3S,4R)-4-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2,3-dihydroxycyclopentyl)oxy)ethyl acetate 替格瑞洛杂质F CCCSC1=NC(=C2C(=N1)N(N=N2)C3CC(C(C3O)O)OCCOC(=O)C)NC4CC4C5=CC(=C(C=C5)F)F	C₂₅H₃₀F₂N₆O₅S	564.6
161796-77-6	1H-Benzimidazole, 6-methoxy-2-[(R)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-, sodium salt (1:1) (R)-奥美拉唑钠盐 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC.[Na]	C₁₇H₁₉N₃NAO₃S	368.4
1632463-24-1	Rivaroxaban Pseudodimer 利伐沙班杂质I C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CNC(=O)COCCN(C4=CC=C(C=C4)N5CC(OC5=O)CNC(=O)C6=CC=C(S6)Cl)C(=O)C7=CC=C(S7)Cl	C₃₈H₃₆Cl₂N₆O₁₀S₂	871.8
163380-16-3	(3R,4S)-1-(4-fluorophenyl)-3-((R)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one (3'R)-依折麦布 C1=CC(=CC=C1C2C(C(=O)N2C3=CC=C(C=C3)F)CCC(C4=CC=C(C=C4)F)O)O	C₂₄H₂₁F₂NO₃	409.4
1700622-06-5	Ezetimibe 3-Fluoro Impurity 依折麦布杂质G C1=CC(=CC(=C1)F)N2C(C(C2=O)CCC(C3=CC=C(C=C3)F)O)C4=CC=C(C=C4)O	C₂₄H₂₁F₂NO₃	409.4
170569-99-0	4-Desmethyl-2-methyl Celecoxib 4-Desmethyl-2-methyl Celecoxib CC1=CC=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F	C₁₇H₁₄F₃N₃O₂S	381.4
170571-01-4	4-(1-(4-(Aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoic acid 羧酸塞来昔布 C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C(=O)O	C₁₇H₁₂F₃N₃O₄S	411.4
172426-88-9	7-Amino-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic Acid 莫西沙星杂质 COC1=C2C(=CC(=C1N)F)C(=O)C(=CN2C3CC3)C(=O)O	C₁₄H₁₃FN₂O₄	292.26