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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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柠檬酸钠，二水分子式: C6H5Na3O7·2H2O 分子量: 294.10IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrateSMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]InChIKey: NLJMYIDDQXHKNR-UHFFFAOYSA-KInChI: 1S/C6H8O7.3Na.2H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;2*1H2/q;3*+1;;/p-3
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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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(+)-抗坏血酸钠 L分子式: C6H7NaO6 分子量: 198.11IUPAC Name: sodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olateSMILES: [Na+].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-]InChIKey: PPASLZSBLFJQEF-RXSVEWSESA-MInChI: 1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1
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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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L-甲硫氨酸-¹³C₅,¹⁵NCAS号: 202468-47-1分子式: 13CH3S13CH213CH213CH(15NH2)13CO2H 分子量: 155.17SMILES: [13CH3]S[13CH2][13CH2][13C@H]([15NH2])[13C](O)=OInChIKey: FFEARJCKVFRZRR-XAFSXMPTSA-NInChI: 1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
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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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