科华智慧（深圳）创新药物研发有限公司-天然产物化合物库-创新药物研发-波谱智能解析-化合物冷冻电镜结构解析

天然产物数据库

您可快速检索70万⁺天然产物信息

检索最多: 白僵菌素大品种冬虫夏草人参三七党参大戟决明半夏丁香

CAS No.	英文名/中文名/SMILES	分子式	分子量
1029364-77-9	8-Fluoro-6-methoxymoxifloxacin 8-氟- 6-甲氧基盐酸莫西沙星/莫西沙星杂质D COC1=C(C(=C2C(=C1)C(=O)C(=CN2C3CC3)C(=O)O)F)N4CC5CCCNC5C4	C₂₁H₂₄FN₃O₄	401.4
105383-68-4	Clevidipine Impurity 8 丁酸氯维地平杂质H207/59 CC1=CC(=C(C(=N1)C)C(=O)OC)C2=C(C(=CC=C2)Cl)Cl	C₁₅H₁₃Cl₂NO₂	310.2
1092578-46-5	(3R,4S)-Tofacitinib (3R,4S)-Tofacitinib CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N	C₁₆H₂₀N₆O	312.37
1092578-48-7	(3S,4R)-Tofacitinib (3S,4R)-Tofacitinib CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N	C₁₆H₂₀N₆O	312.37
110374-16-8	2-(((3,5-Dimethylpyridin-2-yl)methyl)sulfinyl)-5-methoxy-1H-benzo[d]imidazole 埃索美拉唑杂质B CC1=CC(=C(N=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)C	C₁₆H₁₇N₃O₂S	315.4
1105067-88-6	calcium;(3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate (3S,5S)-Atorvastatin Calcium Salt CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2]	C₆₆H₆₈CAF₂N₄O₁₀	1155.3
1151893-81-0	(S)-2-(2-(5-Chloro-N-(4-(5-((5-chlorothiophene-2-carboxamido)methyl)-2-oxooxazolidin-3-YL)phenyl)thiophene-2-carboxamido)ethoxy)acetic acid 利伐沙班杂质J C1C(OC(=O)N1C2=CC=C(C=C2)N(CCOCC(=O)O)C(=O)C3=CC=C(S3)Cl)CNC(=O)C4=CC=C(S4)Cl	C₂₄H₂₁Cl₂N₃O₇S₂	598.5
117620-85-6	9-Desfluoro levofloxacin Defluoro Levofloxacin CC1COC2=C(C=CC3=C2N1C=C(C3=O)C(=O)O)N4CCN(CC4)C	C₁₈H₂₁N₃O₄	343.4
117678-38-3	Levofloxacin N-oxide 左氧氟沙星杂质C CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CC[N+](CC4)(C)[O-])F)C(=O)O	C₁₈H₂₀FN₃O₅	377.4
117707-40-1	Desmethyl levofloxacin 左氧氟沙星相关物质A CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCNCC4)F)C(=O)O	C₁₇H₁₈FN₃O₄	347.34