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CAS No.	英文名/中文名/SMILES	分子式	分子量
87249-11-4	(S)-etodolac (S)-(+)-Etodolac CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O	C₁₇H₂₁NO₃	287.35
475110-48-6	Iloperidone metabolite P95 伊潘立酮羧酸 COC1=C(C=CC(=C1)C(=O)O)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F	C₂₃H₂₅FN₂O₅	428.5
102789-79-7	2-Methylindolin-1-amine hydrochloride 1-氨基-2-甲基吲哚啉盐酸盐 CC1CC2=CC=CC=C2N1N.Cl	C₉H₁₃ClN₂	184.66
133310-19-7	Lamotrigine N2-glucuronide 拉莫三嗪-N2 -葡萄糖醛酸85% C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C([N+](=N2)C3C(C(C(C(O3)C(=O)O)O)O)O)N)N	C₁₅H₁₆Cl₂N₅O₆+	433.2
67118-31-4	2-(2-oxopyrrolidin-1-yl)butanoic Acid 乙拉西坦羧酸 CCC(C(=O)O)N1CCCC1=O	C₈H₁₃NO₃	171.19
27523-40-6	Isoconazole 异康唑 C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl	C₁₈H₁₄Cl₄N₂O	416.1
27220-35-5	3,4-Dichloro Miconazole Nitrate 3,4-Dichloro Miconazole Nitrate C1=CC(=C(C=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl)Cl.[N+](=O)(O)[O-]	C₁₈H₁₅Cl₄N₃O₄	479.1
909277-72-1	2,5-Dichloro Miconazole Nitrate 2,5-Dichloro Miconazole Nitrate C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(C=CC(=C3)Cl)Cl.[N+](=O)(O)[O-]	C₁₈H₁₅Cl₄N₃O₄	479.1
47363-37-1	Miconazole Impurity I 咪康唑杂质I C1=CC=C(C(=C1)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl	C₁₈H₁₅Cl₃N₂O	381.7
150026-72-5	2-[3-(R)-[3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl]-3-hydroxypropyl]benzoic Acid Methyl Ester 2-[3-(R)-[3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl]-3-hydroxypropyl]benzoic Acid Methyl Ester COC(=O)C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)O	C₂₈H₂₄ClNO₃	457.9