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小分子和化合物库
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(±)-可替宁-(甲基-d₃)CAS号: 110952-70-0分子式: C10D3H9N2O 分子量: 179.23IUPAC Name: 5-pyridin-3-yl-1-(trideuteriomethyl)pyrrolidin-2-oneSMILES: [2H]C([2H])([2H])N1C(CCC1=O)c2cccnc2InChIKey: UIKROCXWUNQSPJ-FIBGUPNXSA-NInChI: 1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/i1D3
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D-糖酸钙四水合物CAS号: 5793-89-5分子式: C6H8CaO8·4H2O 分子量: 320.3IUPAC Name: calcium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate;tetrahydrateSMILES: C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.O.O.O.O.[Ca+2]InChIKey: ZQWFSIZRQANUDA-WQMSYZFBSA-LInChI: 1S/C6H10O8.Ca.4H2O/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;4*1H2/q;+2;;;;/p-2/t1-,2-,3-,4+;;;;;/m0...../s1
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3-O-甲基多巴-d3CAS号: 586954-09-8 EC号: 801-788-6分子式: C10H10D3NO4 分子量: 214.23IUPAC Name: 2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acidSMILES: COC1=C(C=CC(=C1)CC(C(=O)O)N)OInChIKey: PFDUUKDQEHURQC-UHFFFAOYSA-NInChI: 1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)
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3-甲氧基酪胺-d4 盐酸盐CAS号: 1216788-76-9分子式: C9H10D4ClNO2 分子量: 207.69SMILES: COC1=CC(C([2H])([2H])C([2H])([2H])N)=CC=C1O.Cl
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Fmoc-L-亮氨酸-d10CAS号: 1190594-22-9分子式: C21H13D10NO4 分子量: 363.47IUPAC Name: (2S)-2,3,3,4,5,5,5-heptadeuterio-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(trideuteriomethyl)pentanoic acidSMILES: CC(C)CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13InChIKey: CBPJQFCAFFNICX-QDXFTFMQSA-NInChI: 1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1/i1D3,2D3,11D2,13D,19D
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去甲变肾上腺素盐酸盐-d3CAS号: 1085333-97-6分子式: C9H11D3ClNO3 分子量: 222.68IUPAC Name: 4-(2-amino-1,2,2-trideuterio-1-hydroxyethyl)-2-methoxyphenol;hydrochlorideSMILES: COC1=C(C=CC(=C1)C(CN)O)O.ClInChIKey: VKFPRGQZWKTEON-IJJJTAPTSA-NInChI: 1S/C9H13NO3.ClH/c1-13-9-4-6(8(12)5-10)2-3-7(9)11;/h2-4,8,11-12H,5,10H2,1H3;1H/i5D2,8D;
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