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CAS No.	英文名/中文名/SMILES	分子式	分子量
52179-26-7	4-(2,2-Dichlorocyclopropyl)phenol 4-(2,2-二氯环丙基)苯酚 C1C(C1(Cl)Cl)C2=CC=C(C=C2)O	C₉H₈Cl₂O	203.06
844639-06-1	O-Triphenylmethoxy Quetiapine O-Triphenylmethoxy Quetiapine C1CN(CCN1CCOCCOC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=NC6=CC=CC=C6SC7=CC=CC=C75	C₄₀H₃₉N₃O₂S	625.8
113323-39-0	CID 14020743 Dehydro Tiamulin CCN(CC)CCSCC(=O)OC1CC(C(=O)C(C23CCC(C1(C2C(=O)CC3)C)C)C)(C)C=C	C₂₈H₄₅NO₄S	491.7
709031-43-6	tert-Butyl [(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxyadamantan-1-yl)-2-oxoethyl]carbamate N-[(1S)-2-[(1S,3S,5S)-3-氰基-2-氮杂双环[3.1.0]己烷-2-基]-1-(3-羟基三环[3.3.1.13,7]癸烷-1-基)-2-氧代乙基]氨基甲酸 1,1-二甲基乙酯 CC(C)(C)OC(=O)NC(C(=O)N1C(CC2C1C2)C#N)C34CC5CC(C3)CC(C5)(C4)O	C₂₃H₃₃N₃O₄	415.5
1350800-76-8	Saxagliptin metabolite D1 (1aS,4S,6aR,7aS)-6-Amino-1,1a,4,6a,7,7a-hexahydro-4-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-3H-Cyclo C1C2C1N3C(C2)C(=NC(C3=O)C45CC6CC(C4)CC(C6)(C5)O)N	C₁₈H₂₅N₃O₂	315.4
318515-70-7	Ethyl (4-(2-(3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamido)ethyl)phenyl)sulfonylcarbamate [4-[2-[[(3-Ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulfonyl]carb CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)OCC)C	C₁₉H₂₅N₃O₆S	423.5
1309349-64-1	Dehydro Clindamycin Phosphate 3',6'-脱氢克林霉素-2磷酸盐 CCC=C1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)OP(=O)(O)O)O)O)C(C)Cl	C₁₈H₃₂ClN₂O₈PS	502.9
163217-74-1	O-Hydroxyatorvastatin lactone O-羟基阿伐他汀内酯 CC(C)C1=C(C(=C(N1CCC2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5O	C₃₃H₃₃FN₂O₅	556.6
142678-35-1	(-)-Pantoprazole 泮托拉唑杂质 COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC	C₁₆H₁₅F₂N₃O₄S	383.4
1333390-56-9	1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(2-fluoro-4-hydroxyphenyl)urea 瑞戈非尼杂质 C1=CC(=C(C=C1NC(=O)NC2=C(C=C(C=C2)O)F)C(F)(F)F)Cl	C₁₄H₉ClF₄N₂O₂	348.68