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CAS No.	英文名/中文名/SMILES	分子式	分子量
23208-66-4	7beta,8beta-Lactocyanocobalamin 氰钴铵素杂质 CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C8(CC(=O)OC8(C(=N7)C=C9C(C(C(=N9)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]	C₆₃H₈₅CON₁₃O₁₅P	1354.3
26264-28-8	50-Carboxycyanocobalamin cyanocobalamin-e-monocarboxylic acid CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)O)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]	C₆₃H₈₇CON₁₃O₁₅P	1356.3
1197-51-9	N-benzylprop-2-yn-1-amine N-苄基丙-2-炔-1-胺 HCL C#CCNCC1=CC=CC=C1	C₁₀H₁₁N	145.20
1074549-89-5	Apixaban Dehydro Impurity 1-(4-甲氧苯基)-7-氧亚基-6-(4-(2-氧亚基哌啶-1-基)苯基)-6,7-二氢-1H-吡唑并[3,4-C]吡啶-3-甲酰胺 COC1=CC=C(C=C1)N2C3=C(C=CN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N	C₂₅H₂₃N₅O₄	457.5
1803026-58-5	Sitagliptin FP impurity C BLDAVCZELRQXFP-OWOJBTEDSA-N C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC=CC3=CC(=C(C=C3F)F)F	C₁₆H₁₂F₆N₄O	390.28
1010-93-1	2-Methyl-5-nitroimidazol-1-ylacetic acid 甲硝唑杂质G CC1=NC=C(N1CC(=O)O)[N+](=O)[O-]	C₆H₇N₃O₄	185.14
122861-53-4	2-Acetyl-2-decarbamoyldoxycycline 盐酸强力霉素杂质F CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)C)N(C)C)O	C₂₃H₂₅NO₈	443.4
89848-14-6	2,4-dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylethyl)-3H-1,2,4-triazol-3-one 2-(仲丁基)-4-(4-(4-(4-羟基苯基)哌嗪-1-基)苯基)-2,4-二氢-3H-1,2,4-三唑-3-酮 CC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC	C₂₂H₂₇N₅O₂	393.5
13669-70-0	Nefopam 奈福泮 CN1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3	C₁₇H₁₉NO	253.34
1809464-27-4	Didehydroatovaquone 特拉沃普罗斯特杂质 C1CC(=CCC1C2=C(C3=CC=CC=C3C(=O)C2=O)O)C4=CC=C(C=C4)Cl	C₂₂H₁₇ClO₃	364.8