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CAS No.	英文名/中文名/SMILES	分子式	分子量
86384-10-3	5-Hydroxypropafenone 5-Hydroxy Propafenone Hydrochloride CCCNCC(COC1=C(C=C(C=C1)O)C(=O)CCC2=CC=CC=C2)O	C₂₁H₂₇NO₄	357.4
51938-11-5	10H-Phenothiazin-3-ol, 8-chloro-10-[3-(dimethylamino)propyl]-,monohydrochloride 7-Hydroxy Chlorpromazine Hydrochloride CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl.Cl	C₁₇H₂₀Cl₂N₂OS	371.3
257883-22-0	p-Hydroxy rosiglitazone 5-羟基罗格列酮 CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=NC=C(C=C3)O	C₁₈H₁₉N₃O₄S	373.4
112766-18-4	(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-(((trifluoromethyl)sulfonyl)oxy)phenyl)propanoate Methyl 2-(tert-butoxycarbonylaMino)-3-(4-(trifluoroMethylsulfonyloxy)phenyl)propanoate CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)OC	C₁₆H₂₀F₃NO₇S	427.4
59-01-8	Kanamycin 卡那霉素碱 C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N	C₁₈H₃₆N₄O₁₁	484.5
160970-64-9	(R)-1-(3-hydroxypropyl)-5-(2-((2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl)amino)propyl)indoline-7-carboxamide 2,3-二氢-1-(3-羟丙基)-5-[(2R)-2-[2-[2-(2,2,2-三氟乙氧基)苯氧基]乙胺基]丙基]-1H-吲哚-7-甲酰胺 CC(CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F	C₂₅H₃₂F₃N₃O₄	495.5
209467-52-7	Ceftobiprole Ceftobiprole C1CNCC1N2CCC(=CC3=C(N4C(C(C4=O)NC(=O)C(=NO)C5=NSC(=N5)N)SC3)C(=O)O)C2=O	C₂₀H₂₂N₈O₆S₂	534.6
83409-32-9	Desethylamiodarone Desethyl Amiodarone Discontinued See: D288731 CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCNCC)I	C₂₃H₂₅I₂NO₃	617.3
67034-83-7	Dehydroepiandrosterone-16,16-D2 氘代去氢表雄酮/氘代3-Β-羟基-5-烯-17-酮 CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C	C₁₉H₂₈O₂	290.4
7439-86-3	Bromoethane-2,2,2-d3 溴乙烷-2,2,2-d3 CCBr	C₂H₅BR	111.98