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CAS No.	英文名/中文名/SMILES	分子式	分子量
1794898-13-7	Tetrahydrocurcumin D6 Tetrahydro Curcumin-d6 COC1=C(C=CC(=C1)CCC(=O)CC(=O)CCC2=CC(=C(C=C2)O)OC)O	C₂₁H₂₄O₆	378.4
1217769-52-2	Diltiazem-d4 (hydrochloride) Diltiazem-d4 Hydrochloride Also See: D460622 and D460624 CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl	C₂₂H₂₇ClN₂O₄S	455.0
1246819-64-6	Levamisole-d5 Hydrochloride 左旋咪唑-D5盐酸盐 C1CSC2=NC(CN21)C3=CC=CC=C3.Cl	C₁₁H₁₃ClN₂S	245.78
134-36-1	Erythromycin propionate 红霉素丙酸酯 CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CC)(C)O)C)C)O)(C)O	C₄₀H₇₁NO₁₄	790.0
1036959-23-5	(2S,2'S)-1,1'-(2,2'-((3-Hydroxyadamantan-1-yl)azanediyl)bis(acetyl))bis(pyrrolidine-2-carbonitrile) 维达列汀杂质2(非对映体混合物) C1CC(N(C1)C(=O)CN(CC(=O)N2CCCC2C#N)C34CC5CC(C3)CC(C5)(C4)O)C#N	C₂₄H₃₃N₅O₃	439.6
565453-40-9	Vildagliptin Carboxylic Acid Metabolite 维达列汀羧酸代谢产物 C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C(=O)O	C₁₇H₂₆N₂O₄	322.4
1646355-34-1	7-(but-2-yn-1-yl)-8-(dimethylamino)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione 利格列汀杂质H CC#CCN1C2=C(N=C1N(C)C)N(C(=O)N(C2=O)CC3=NC4=CC=CC=C4C(=N3)C)C	C₂₂H₂₃N₇O₂	417.5
1638744-06-5	N-Des-(2-butyn-1-yl)-N-(3-bromo-2-buten-1-yl) Linagliptin 利格列汀杂质K CC1=NC(=NC2=CC=CC=C12)CN3C(=O)C4=C(N=C(N4CC=C(C)Br)N5CCCC(C5)N)N(C3=O)C	C₂₅H₂₉BRN₈O₂	553.5
668273-74-3	Tert-butyl (s)-(1-(7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)piperidin-3-yl)carbamate 利格列汀杂质S CC#CCN1C2=C(N=C1N3CCCC(C3)NC(=O)OC(C)(C)C)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C	C₃₀H₃₆N₈O₄	572.7
1283129-18-9	D-Glucitol, 1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, 2,3,4,6-tetrakis(2,2-dimethylpropanoate), (1S)- (1S)-1,5-脱水-1-C-[3-[[5-(4-氟苯基)-2-噻吩基]甲基]-4-甲基苯基]-D-山梨糖醇 2,3,4,6-四(2,2-二甲基丙酸酯) CC1=C(C=C(C=C1)C2C(C(C(C(O2)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)CC3=CC=C(S3)C4=CC=C(C=C4)F	C₄₄H₅₇FO₉S	781.0