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小分子和化合物库
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硫酸奎宁荧光标准物质分子式: C40H48N4O4.H2SO4.2H2O 分子量: 782.95IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrateSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)OInChIKey: ZHNFLHYOFXQIOW-LPYZJUEESA-NInChI: See more
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7-羟基氯丙嗪-d6盐酸盐分子式: C17H13D6ClN2OS • HCl 分子量: 376.59IUPAC Name: 8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-3-olSMILES: CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)ClInChIKey: HICFFJZGXWEIHN-UHFFFAOYSA-NInChI: 1S/C17H19ClN2OS/c1-19(2)8-3-9-20-14-6-5-13(21)11-17(14)22-16-7-4-12(18)10-15(16)20/h4-7,10-11,21H,3,8-9H2,1-2H3
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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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四螨嗪CAS号: 74115-24-5 EC号: 277-728-2分子式: C14H8Cl2N4 分子量: 303.15IUPAC Name: 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazineSMILES: C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)ClInChIKey: UXADOQPNKNTIHB-UHFFFAOYSA-NInChI: 1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H
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正辛醛-d16CAS号: 1219794-66-7分子式: C8D16O 分子量: 144.31IUPAC Name: 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecadeuteriooctan-1-oneSMILES: CCCCCCCC=OInChIKey: NUJGJRNETVAIRJ-ZEFOBESCSA-NInChI: 1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D
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盐酸曲唑酮-d6CAS号: 1181578-71-1 Compound CID : 45040566分子式: C19H17D6Cl2N5O 分子量: 414.36IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1,2,2,3,3-hexadeuteriopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochlorideSMILES: C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl.ClInChIKey: OHHDIOKRWWOXMT-BHIQTGFXSA-NInChI: 1S/C19H22ClN5O.ClH/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h1-3,5-7,9,15H,4,8,10-14H2;1H/i4D2,8D2,10D2;
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25-羟基维生素 D₃-26,26,26,27,27,27-d₆ 一水合物CAS号: 2483831-70-3分子量: 424.69SMILES: C[C@]1(CCC/2)C(CCC1[C@H](C)CCCC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])C2=C\\C=C(C[C@@H](O)CC3)/C3=C.[H]O[H]InChIKey: WRLFSJXJGJBFJQ-DZAJWRDGSA-NInChI: See more
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二十烷酸-d₃₉酸CAS号: 39756-32-6分子式: CD3(CD2)18COOH 分子量: 351.77IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-nonatriacontadeuterioicosanoic acidSMILES: CCCCCCCCCCCCCCCCCCCC(=O)OInChIKey: VKOBVWXKNCXXDE-BKDZISOFSA-NInChI: 1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2
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吲哚-3-乙酸-2,2-d₂酸CAS号: 24420-86-8分子式: C10D2H7NO2 分子量: 177.2IUPAC Name: 2,2-dideuterio-2-(1H-indol-3-yl)acetic acidSMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)OInChIKey: SEOVTRFCIGRIMH-BFWBPSQCSA-NInChI: 1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/i5D2
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生物素-(环-6,6-d₂)CAS号: 1217481-41-8分子式: C10D2H14N2O3S 分子量: 246.32IUPAC Name: 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acidSMILES: C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2InChIKey: YBJHBAHKTGYVGT-UHFFFAOYSA-NInChI: 1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)
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