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恩诺沙星-D5CAS号 : 1173021-92-5 Compound CID : 46781453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: InChI=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: InChI=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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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: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/i1D3,2D3,3D2,4D
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异烟肼-d4CAS号 : 774596-24-6分子式: C6H3D4N3O 分子量: 141.16IUPAC Name: 2,3,5,6-tetradeuteriopyridine-4-carbohydrazideSMILES: C1=CN=CC=C1C(=O)NNInChIKey: QRXWMOHMRWLFEY-RHQRLBAQSA-NInChI: InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)/i1D,2D,3D,4D
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L-半胱氨酸-¹³C₃,¹⁵NCAS号 : 202406-97-1分子式: 13C3H715NO2S 分子量: 125.13IUPAC Name: (2S)-2-(15N)azanyl-3-sulfanyl(1,2,3-13C3)propanoic acidSMILES: C(C(C(=O)O)N)SInChIKey: XUJNEKJLAYXESH-ROQAEYOOSA-NInChI: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1/i1+1,2+1,3+1,4+1
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L-色氨酸-¹³C₁₁,¹⁵N₂CAS号 : 202406-50-6 Compound CID : 162394691分子式: C11H12N2O2 分子量: 217.13IUPAC Name: (2R)-2-(15N)azanyl-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acidSMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NInChIKey: QIVBCDIJIAJPQS-HNEHNLBWSA-NInChI: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1
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二苯甲酮-(羰基-¹³C)CAS号 : 32488-48-5 Compound CID : 11171364分子式: (C6H5)213CO 分子量: 183.21IUPAC Name: diphenyl(113C)methanoneSMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2InChIKey: RWCCWEUUXYIKHB-KCKQSJSWSA-NInChI: InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/i13+1
