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CAS No.	英文名/中文名/SMILES	分子式	分子量
91700-98-0	N-Demethylvancomycin Norvancomycin Trifluoroacetic Acid Salt >85% CCC(C)C(C(=O)NC1C(C2=CC(=C(C=C2)OC3=CC4=CC(=C3OC5C(C(C(C(O5)CO)O)O)OC6CC(C(C(O6)C)O)(C)N)OC7=C(C=C(C=C7)C(C8C(=O)NC(C9=C(C(=CC(=C9)O)O)C2=C(C=CC(=C2)C(C(=O)N8)NC(=O)C4NC(=O)C(NC1=O)CC(=O)N)O)C(=O)O)O)Cl)Cl)O)N	C₆₅H₇₃Cl₂N₉O₂₄	1435.2
82198-76-3	Vancomycin aglycon Vancomycin Aglycon Trifluoroacetic Acid Salt Hydrate CC(C)CC(C(=O)NC1C(C2=CC(=C(C=C2)OC3=CC4=CC(=C3O)OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=C(C(=CC(=C7)O)O)C8=C(C=CC(=C8)C(C(=O)N6)NC(=O)C4NC(=O)C(NC1=O)CC(=O)N)O)C(=O)O)O)Cl)Cl)O)NC	C₅₃H₅₂Cl₂N₈O₁₇	1143.9
101485-50-1	Desvancosaminyl vancomycin 万古霉素杂质 CC(C)CC(C(=O)NC1C(C2=CC(=C(C=C2)OC3=CC4=CC(=C3OC5C(C(C(C(O5)CO)O)O)O)OC6=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)C4NC(=O)C(NC1=O)CC(=O)N)O)C(=O)O)O)Cl)Cl)O)NC	C₅₉H₆₂Cl₂N₈O₂₂	1306.1
93413-90-2	1-[1-(4-Methoxyphenyl)-2-(methylamino)ethyl]cyclohexanol Hydrochloride 1-[1-(4-Methoxyphenyl)-2-(methylamino)ethyl]cyclohexanol Hydrochloride CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2)O.Cl	C₁₆H₂₆ClNO₂	299.83
21411-53-0	Virginiamycin m1 维吉尼亚霉素M1 CC1C=CC(=O)NCC=CC(=CC(CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)OC1C(C)C)O)C	C₂₈H₃₅N₃O₇	525.6
182369-73-9	5-Desfluoro voriconazole, (+/-)- 消旋5 -伏立康唑 CC(C1=NC=NC=C1)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O	C₁₆H₁₅F₂N₅O	331.32
5543-58-8	(R)-Warfarin (R)-(+)-华法林 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O	C₁₉H₁₆O₄	308.3
909849-96-3	2-[1-[[1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfinylmethyl]cyclopropyl]acetic acid 孟鲁斯特亚砜 CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)S(=O)CC5(CC5)CC(=O)O)O	C₃₅H₃₆ClNO₄S	602.2
918972-54-0	Montelukast methylstyrene 孟鲁司特苯乙烯 CC(=C)C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O	C₃₅H₃₄ClNO₂S	568.2
1147403-03-9	Vildagliptin beta-D-glucuronide Vildagliptin C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)OC5C(C(C(C(O5)C(=O)O)O)O)O)C#N	C₂₃H₃₃N₃O₈	479.5