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CAS No.	英文名/中文名/SMILES	分子式	分子量
148217-40-7	Atorvastatin Lactam Sodium Salt Impurity 阿托伐他汀内酰胺钠盐杂质 CC(C)C1(C(=C(N(C1=O)CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Na+]	C₃₃H₃₄FN₂NAO₆	596.6
93106-58-2	6-Chloro-6-defluoro Ciprofloxacin 环丙沙星杂质1 C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)Cl)C(=O)O	C₁₇H₁₈ClN₃O₃	347.8
1420791-14-5	15-epi Travoprost 15-epi Travoprost CC(C)OC(=O)CCCC=CCC1C(CC(C1C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)O)O	C₂₆H₃₅F₃O₆	500.5
115236-65-2	Desleucyl vancomycin Vancomycin hexapeptide CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C7C(=O)NC(C8=C(C(=CC(=C8)O)O)C9=C(C=CC(=C9)C(C(=O)N7)NC(=O)C5NC(=O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)N)CC(=O)N)O)C(=O)O)O)Cl)CO)O)O)(C)N)O	C₅₉H₆₂Cl₂N₈O₂₃	1322.1
570-62-7	3alpha,12beta-Dihydroxy-5beta-cholan-24-oic Acid 3α,12β-二羟基胆烷酸 CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C	C₂₄H₄₀O₄	392.6
1803601-44-6	4-(Aminomethyl)cyclohex-1-enecarboxylic acid hydrochloride 氨甲环酸EP杂质C HCL C1CC(=CCC1CN)C(=O)O.Cl	C₈H₁₄ClNO₂	191.65
1309048-48-3	Clindamycin 2,4-Diphosphate Clindamycin 2,4-Diphosphate CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)OP(=O)(O)O)O)OP(=O)(O)O)C(C)Cl	C₁₈H₃₅ClN₂O₁₁P₂S	584.9
620181-05-7	7-Epiclindamycin 2-Phosphate 7-Epi Clindamycin 2-Phosphate Ammonium Salt CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)OP(=O)(O)O)O)O)C(C)Cl	C₁₈H₃₄ClN₂O₈PS	505.0
19881-18-6	Nitroscanate 硝硫氰醚 C1=CC(=CC=C1N=C=S)OC2=CC=C(C=C2)[N+](=O)[O-]	C₁₃H₈N₂O₃S	272.28
1008-35-1	Tetrahydropterin tetrahydropterin C1CNC2=C(N1)C(=O)NC(=N2)N	C₆H₉N₅O	167.17