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CAS No.	英文名/中文名/SMILES	分子式	分子量
36507-48-9	1-(Tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol rac Penbutolol CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)O	C₁₈H₂₉NO₂	291.4
54063-52-4	Pitofenone 匹托非酮 COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)OCCN3CCCCC3	C₂₂H₂₅NO₄	367.4
865244-30-0	Swz19ET35C 奥贝胆酸杂质 CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)O)C)C)O	C₂₆H₄₄O₄	420.6
620169-47-3	Azithromycin C 阿奇霉素C(3′′-O-去甲基阿奇霉素) CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O	C₃₇H₇₀N₂O₁₂	735.0
612069-26-8	Azithromycin F 14-去甲基-14-(羟甲基)阿奇霉素(阿奇霉素F) CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)CO)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O	C₃₈H₇₂N₂O₁₃	765.0
241825-88-7	7-(4-Bromobenzoyl)-1H-indole-2,3-dione 7-(4-溴苯甲酰)-2,3-吲哚二酮 C1=CC2=C(C(=C1)C(=O)C3=CC=C(C=C3)Br)NC(=O)C2=O	C₁₅H₈BRNO₃	330.13
844694-84-4	Deoxydonepezil 盐酸多奈哌齐杂质 COC1=C(C=C2CC(CC2=C1)CC3CCN(CC3)CC4=CC=CC=C4)OC	C₂₄H₃₁NO₂	365.5
6543-57-3	6h,12h,18h,24h-Tetrabenzo[b,f,j,n][1,5,9,13]tetraoxacyclohexadecine-6,12,18,24-tetrone 13,14-(1,3-Butadiene-1,4-diyl)-[9,10-(1,3-butadiene-1,4-diyl)-[5,6-(1,3-butadiene-1,4-diyl)-[1,2-(1,3-butadiene-1,4-diyl)-4,8,12 C1=CC=C2C(=C1)C(=O)OC3=CC=CC=C3C(=O)OC4=CC=CC=C4C(=O)OC5=CC=CC=C5C(=O)O2	C₂₈H₁₆O₈	480.4
69429-21-6	(2S,4S)-4-(((2R,4S,5S,6S)-4-Amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-2-carboxylic acid 多柔比星杂质 6 CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)O)O)N)O	C₂₆H₂₇NO₁₁	529.5
1034301-08-0	3',5'-Bis-O-(4-chlorobenzoyl)-2-deoxy-5-azacytosine 3',5'-二对氯苯甲酰氧基-2-脱氧-5-氮杂胞苷 C1C(C(OC1N2C=NC(=NC2=O)N)COC(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl	C₂₂H₁₈Cl₂N₄O₆	505.3