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CAS No.	英文名/中文名/SMILES	分子式	分子量
1140891-02-6	[5-(4-Amino-2-oxo-1,3,5-triazin-1-yl)-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate 4-氨基-1-[3,5-二-O-(4-氯苯甲酰基)-2-脱氧-ALPHA-D-赤式-呋喃戊糖基]-1,3,5-三嗪-2(1H)-酮 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
204589-80-0	Methyl 3-((2S,3R)-2-(4-(benzyloxy)phenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl)propanoate (3R,4S)-1-(4-氟苯基)-2-氧代-4-[4-(苄氧基)苯基]-3-氮杂环丁烷丙酸甲酯 COC(=O)CCC1C(N(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)OCC4=CC=CC=C4	C₂₆H₂₄FNO₄	433.5
98814-60-9	5,10-Diformyltetrahydrofolic acid 5,10-Diformyl-5,6,7,8-tetrahydro Folic Acid Calcium Salt Hydrate C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CN(C=O)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	C₂₁H₂₃N₇O₈	501.4
745767-97-9	1,3-Propanediol, 2-amino-2-[2-(4-heptylphenyl)ethyl]- 苏戈莫德杂质2 CCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N	C₁₈H₃₁NO₂	293.4
94345-95-6	3,5-Diiodo-O-(4-methoxyphenyl)-L-tyrosine 左甲状腺素钠杂质11 COC1=CC=C(C=C1)OC2=C(C=C(C=C2I)CC(C(=O)O)N)I	C₁₆H₁₅I₂NO₄	539.10
98966-14-4	n,n'-(6,6'-Dihydroxybiphenyl-3,3'-diyl)diacetamide AcetaMinophen DiMer CC(=O)NC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)NC(=O)C)O	C₁₆H₁₆N₂O₄	300.31
1318777-54-6	O-Acetyl Lacosamide O-Acetyl Lacosamide CC(=O)NC(COC(=O)C)C(=O)NCC1=CC=CC=C1	C₁₄H₁₈N₂O₄	278.30
1886-34-6	2-Methyl-4-amino-5-(formylaminomethyl)pyrimidine 4-Amino-5-(formamidomethyl)-2-methylpyrimidine CC1=NC=C(C(=N1)N)CNC=O	C₇H₁₀N₄O	166.18
26889-93-0	L-Amoxicillin L-Amoxicillin CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C	C₁₆H₁₉N₃O₅S	365.4
41639-71-8	15(R)-17-Phenyl trinor prostaglandin F2alpha (15R)-Bimatoprost Acid C1C(C(C(C1O)C=CC(CCC2=CC=CC=C2)O)CC=CCCCC(=O)O)O	C₂₃H₃₂O₅	388.5