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乙二胺-d4 二盐酸盐CAS号: 34334-71-9分子式: C2H6D4Cl2N2 分子量: 137.04IUPAC Name: 1,1,2,2-tetradeuterioethane-1,2-diamine;dihydrochlorideSMILES: C(CN)N.Cl.ClInChIKey: OHHBFEVZJLBKEH-RIZDZYNXSA-NInChI: 1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H/i1D2,2D2;;
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卡马西平-d10CAS号: 132183-78-9分子式: C15H2D10N2O 分子量: 246.33SMILES: [2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C(C(=C(C(=C3N2C(=O)N)[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H]
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三辛酸甘油酯（羧基-13C₃）CAS号: 65402-55-3分子式: 13C3C26H50O6 分子量: 473.66IUPAC Name: 2,3-di((113C)octanoyloxy)propyl (113C)octanoateSMILES: CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCCInChIKey: VLPFTAMPNXLGLX-UTXJEHKQSA-NInChI: 1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3/i25+1,26+1,27+1
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氯化铵-15NCAS号: 39466-62-1分子式: 15NH4Cl 分子量: 54.48IUPAC Name: azanium;chlorideSMILES: [15NH4+].[Cl-]InChIKey: NLXLAEXVIDQMFP-IEOVAKBOSA-NInChI: 1S/ClH.H3N/h1H;1H3/i;1+1
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恩诺沙星-D5CAS号: 1173021-92-5分子式: C19H17D5FN3O3 分子量: 364.43IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(1,1,2,2,2-pentadeuterioethyl)piperazin-1-yl]quinoline-3-carboxylic acidSMILES: CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)FInChIKey: SPFYMRJSYKOXGV-ZBJDZAJPSA-NInChI: 1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)/i1D3,2D2
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更昔洛韦-d5CAS号: 1189966-73-1分子式: C9H8D5N5O4 分子量: 260.26SMILES: [2H]C([2H])(C([2H])(C([2H])([2H])O)OCN1C=NC2C1=NC(=NC2=O)N)O
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N-去甲基氯氮平-d8CAS号: 1189888-77-4分子式: C17H9D8ClN4 分子量: 320.85IUPAC Name: 3-chloro-6-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepineSMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: JNNOSTQEZICQQP-UFBJYANTSA-NInChI: 1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2/i7D2,8D2,9D2,10D2
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丙酮酸钠-1-13 CCAS号: 87976-71-4分子式: ¹³CC2H3NaO3 分子量: 111.04IUPAC Name: sodium;2-oxo(113C)propanoateSMILES: CC(=O)C(=O)[O-].[Na+]InChIKey: DAEPDZWVDSPTHF-FJUFCODESA-MInChI: 1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1/i3+1;
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异戊酸-d9CAS号: 344298-81-3分子式: C5HD9O2 分子量: 111.19IUPAC Name: 2,2,3,4,4,4-hexadeuterio-3-(trideuteriomethyl)butanoic acidSMILES: CC(C)CC(=O)OInChIKey: GWYFCOCPABKNJV-CBZKUFJVSA-NInChI: 1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/i1D3,2D3,3D2,4D
