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CAS No.	英文名/中文名/SMILES	分子式	分子量
118267-18-8	N-Demethylroxithromycin 去甲基罗红霉素 CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)NC)O)(C)O)C)C)O)(C)O	C₄₀H₇₄N₂O₁₅	823.0
819802-34-1	3-Demethyl Thiocolchicine 3-O-\|A-D-Glucuronide 3-Demethyl Thiocolchicine 3-O-β-D-Glucuronide CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC4C(C(C(C(O4)C(=O)O)O)O)O	C₂₇H₃₁NO₁₁S	577.6
252186-78-0	3-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-5(4H)-one 5-Desamino 5-Oxo-2,5-dihydro Lamotrigine C1=CC(=C(C(=C1)Cl)Cl)C2=NN=C(NC2=O)N	C₉H₆Cl₂N₄O	257.07
119302-86-2	17-Desacetyl Rocuronium 17-Desacetyl Rocuronium Bromide CC12CCC3C(C1CC(C2O)[N+]4(CCCC4)CC=C)CCC5C3(CC(C(C5)O)N6CCOCC6)C.[Br-]	C₃₀H₅₁BRN₂O₃	567.6
1224515-72-3	Rupatadine Impurity C 氯雷他定羟基哌N -氧化物 C1CC2=C(C=CC(=C2)Cl)C(=C3CCN(CC3)CC4=CC(=CN=C4)CN5CCC(=C6C7=C(CCC8=C6N=CC=C8)C=C(C=C7)Cl)CC5)C9=C1C=CC=N9	C₄₅H₄₃Cl₂N₅	724.8
101666-68-6	N-Desmethyl Clarithromycin N-Desmethyl Clarithromycin CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)NC)O)(C)OC)C)C)O)(C)O	C₃₇H₆₇NO₁₃	733.9
52079-10-4	O-Desmethylnaproxen （S）-O-去甲基萘普生 CC(C1=CC2=C(C=C1)C=C(C=C2)O)C(=O)O	C₁₃H₁₂O₃	216.23
560075-65-2	N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)acetamide 2,6-Dichloro-N-(4-chlorophenyl)-benzeneacetamide C1=CC(=C(C(=C1)Cl)CC(=O)NC2=CC=C(C=C2)Cl)Cl	C₁₄H₁₀Cl₃NO	314.6
116857-05-7	trans-4,5-Dichloro-4,5-dimethyl-1,3-dioxolan-2-one trans-4,5-Dichloro-4,5-dimethyl-1,3-dioxolan-2-one CC1(C(OC(=O)O1)(C)Cl)Cl	C₅H₆Cl₂O₃	185.00
122188-02-7	Etodolac methyl ester 依托度酸甲酯 CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)OC	C₁₈H₂₃NO₃	301.4