小分子和化合物库
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3,5-二乙氧羰基-1,4-二氢-2,4,6-三甲吡啶(DDC)CAS号: 632-93-9分子式: C14H21NO4 分子量: 267.33IUPAC Name: diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylateSMILES: CCOC(=O)C1=C(NC(=C(C1C)C(=O)OCC)C)CInChIKey: CDVAIHNNWWJFJW-UHFFFAOYSA-NInChI: 1S/C14H21NO4/c1-6-18-13(16)11-8(3)12(14(17)19-7-2)10(5)15-9(11)4/h8,15H,6-7H2,1-5H3
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米格列醇CAS号: 72432-03-2分子式: C8H17NO5 分子量: 207.22IUPAC Name: (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triolSMILES: C1C(C(C(C(N1CCO)CO)O)O)OInChIKey: IBAQFPQHRJAVAV-ULAWRXDQSA-NInChI: 1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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吡非尼酮CAS号: 53179-13-8分子式: C12H11NO 分子量: 185.22IUPAC Name: 5-methyl-1-phenylpyridin-2-oneSMILES: CC1=CN(C(=O)C=C1)C2=CC=CC=C2InChIKey: ISWRGOKTTBVCFA-UHFFFAOYSA-NInChI: 1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3
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阿尼西坦CAS号: 72432-10-1分子式: C12H13NO3 分子量: 219.24IUPAC Name: 1-(4-methoxybenzoyl)pyrrolidin-2-oneSMILES: COC1=CC=C(C=C1)C(=O)N2CCCC2=OInChIKey: ZXNRTKGTQJPIJK-UHFFFAOYSA-NInChI: 1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3
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环丙贝特CAS号: 52214-84-3 EC号: 257-744-6分子式: C13H14Cl2O3 分子量: 289.15IUPAC Name: 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acidSMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)ClInChIKey: KPSRODZRAIWAKH-UHFFFAOYSA-NInChI: 1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)
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1-氯-2,2,2-三氟乙基二氟甲基醚CAS号: 26675-46-7分子式: C3H2ClF5O 分子量: 184.49IUPAC Name: 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethaneSMILES: C(C(F)(F)F)(OC(F)F)ClInChIKey: PIWKPBJCKXDKJR-UHFFFAOYSA-NInChI: 1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
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