小分子和化合物库
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糖精d4CAS号: 1189466-17-8 Compound CID : 46782906分子式: C7HD4NO3S 分子量: 187.21IUPAC Name: 4,5,6,7-tetradeuterio-1,1-dioxo-1,2-benzothiazol-3-oneSMILES: C1=CC=C2C(=C1)C(=O)NS2(=O)=OInChIKey: CVHZOJJKTDOEJC-RHQRLBAQSA-NInChI: 1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)/i1D,2D,3D,4D
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咪鲜安CAS号: 67747-09-5 EC号: 266-994-5分子式: C15H16Cl3N3O2 分子量: 376.67IUPAC Name: N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamideSMILES: CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2InChIKey: TVLSRXXIMLFWEO-UHFFFAOYSA-NInChI: 1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
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胆固醇-d7CAS号: 83199-47-7分子式: C27H39D7O 分子量: 393.70IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)CInChIKey: HVYWMOMLDIMFJA-IFAPJKRJSA-NInChI: 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3,18D
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4-羟基-TEMPO-d₁₇CAS号: 100326-46-3分子式: C9H18NO2 分子量: 189.35SMILES: CC1(CC(CC(N1[O])(C)C)O)CInChIKey: UZFMOKQJFYMBGY-DEMDKEALSA-NInChI: 1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,7D
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L-苏氨酸-¹³C₄,¹⁵NCAS号: 202468-39-1分子式: 13CH313CH(OH)13CH(15NH2)13CO2H 分子量: 124.08IUPAC Name: (2R,3S)-2-(15N)azanyl-3-hydroxy(1,2,3,4-13C4)butanoic acidSMILES: CC(C(C(=O)O)N)OInChIKey: AYFVYJQAPQTCCC-CZMGFAMSSA-NInChI: 1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m0/s1/i1+1,2+1,3+1,4+1,5+1
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L-谷氨酰胺-¹³C₅,¹⁵N₂CAS号: 285978-14-5分子式: 13C5H1015N2O3 分子量: 153.09SMILES: [13CH2]([13CH2][13C](=O)[15NH2])[13C@@H]([13C](=O)O)[15NH2]
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