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盐酸二甲双胍-d6CAS号: 1185166-01-1分子式: C4H6D6ClN5 分子量: 171.66IUPAC Name: 3-(diaminomethylidene)-1,1-bis(trideuteriomethyl)guanidine;hydrochlorideSMILES: CN(C)C(=N)N=C(N)N.ClInChIKey: OETHQSJEHLVLGH-TXHXQZCNSA-NInChI: 1S/C4H11N5.ClH/c1-9(2)4(7)8-3(5)6;/h1-2H3,(H5,5,6,7,8);1H/i1D3,2D3;
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D-[4-2H]葡萄糖CAS号: 56570-89-9分子式: C6H11DO6 分子量: 181.16IUPAC Name: (3R,4R,5S,6R)-5-deuterio-6-(hydroxymethyl)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-KHOLKCTKSA-NInChI: 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m1/s1/i3D
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D-葡萄糖-1,2,3,4,5,6,6-d7CAS号: 23403-54-5分子式: C6H5D7O6 分子量: 187.2IUPAC Name: (3R,4S,5S,6R)-2,3,4,5,6-pentadeuterio-6-[dideuterio(hydroxy)methyl]oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-QCQRZMBHSA-NInChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i1D2,2D,3D,4D,5D,6D
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D,L-色氨酸-d3CAS号: 340257-61-6分子式: C11H9D3N2O2 分子量: 207.24IUPAC Name: 2-amino-2,3,3-trideuterio-3-(1H-indol-3-yl)propanoic acidSMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NInChIKey: QIVBCDIJIAJPQS-GAUJEYLJSA-NInChI: 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)/i5D2,9D
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L-色氨酸-d₅CAS号: 62595-11-3分子式: C11D5H7N2O2 分子量: 209.26IUPAC Name: (2S)-2-amino-3-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)propanoic acidSMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NInChIKey: QIVBCDIJIAJPQS-HLTLGYGQSA-NInChI: 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-/m0/s1/i1D,2D,3D,4D,6D
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L-鸟氨酸-d6盐酸盐CAS号: 347841-40-1分子式: C5H7D6ClN2O2 分子量: 174.66IUPAC Name: (2S)-2,5-diamino-3,3,4,4,5,5-hexadeuteriopentanoic acid;hydrochlorideSMILES: C(CC(C(=O)O)N)CN.ClInChIKey: GGTYBZJRPHEQDG-IYAGNYDCSA-NInChI: 1S/C5H12N2O2.ClH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H/t4-;/m0./s1/i1D2,2D2,3D2;
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普里米酮-D5CAS号: 73738-06-4分子式: C12H9D5N2O2 分子量: 223.28IUPAC Name: 5-(1,1,2,2,2-pentadeuterioethyl)-5-phenyl-1,3-diazinane-4,6-dioneSMILES: CCC1(C(=O)NCNC1=O)C2=CC=CC=C2InChIKey: DQMZLTXERSFNPB-ZBJDZAJPSA-NInChI: 1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)/i1D3,2D2
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乙胺丁醇-d4二盐酸盐CAS号: 1129526-19-7 Compound CID : 75125712分子式: C10H22D4Cl2N2O2 分子量: 281.26IUPAC Name: (2S)-2-[[1,1,2,2-tetradeuterio-2-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]amino]butan-1-ol;dihydrochlorideSMILES: CCC(CO)NCCNC(CC)CO.Cl.ClInChIKey: AUAHHJJRFHRVPV-QGTYBEAQSA-NInChI: 1S/C10H24N2O2.2ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;;/h9-14H,3-8H2,1-2H3;2*1H/t9-,10-;;/m0../s1/i5D2,6D2;;
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奥氮平-d3CAS号: 786686-79-1分子式: C17H17D3N4S 分子量: 315.45IUPAC Name: 2-methyl-4-[4-(trideuteriomethyl)piperazin-1-yl]-10H-thieno[2,3-b][1,5]benzodiazepineSMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)CInChIKey: KVWDHTXUZHCGIO-BMSJAHLVSA-NInChI: 1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3/i2D3
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奥美拉唑-d3CAS号: 922731-01-9分子式: C17H16D3N3O3S 分子量: 348.43IUPAC Name: 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-6-(trideuteriomethoxy)-1H-benzimidazoleSMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OCInChIKey: SUBDBMMJDZJVOS-HPRDVNIFSA-NInChI: 1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i3D3
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孕烯醇酮-d4CAS号: 61574-54-7分子式: C21H28D4O2 分子量: 320.58IUPAC Name: 2,2,2-trideuterio-1-[(3S,8S,9S,10R,13S,14S,17S)-17-deuterio-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanoneSMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)CInChIKey: ORNBQBCIOKFOEO-QVFJSNPXSA-NInChI: 1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1/i1D3,17D
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