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更昔洛韦-d5CAS号 : 1189966-73-1分子式: C9H8D5N5O4 分子量: 260.26SMILES: [2H]C([2H])(C([2H])(C([2H])([2H])O)OCN1C=NC2C1=NC(=NC2=O)N)O
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N-Boc-哌嗪-d8CAS号 : 1126621-86-0分子式: C9H10D8N2O2 分子量: 194.30IUPAC Name: tert-butyl 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylateSMILES: CC(C)(C)OC(=O)N1CCNCC1InChIKey: CWXPZXBSDSIRCS-DUSUNJSHSA-NInChI: InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3/i4D2,5D2,6D2,7D2
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N-去甲基氯氮平-d8CAS号 : 1189888-77-4分子式: C17H9D8ClN4 分子量: 320.85IUPAC Name: 3-chloro-6-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepineSMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: JNNOSTQEZICQQP-UFBJYANTSA-NInChI: InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2/i7D2,8D2,9D2,10D2
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哌嗪-2,2,3,3,5,5,6,6-d8二盐酸盐一水合物CAS号 : 314062-45-8分子式: C4H6D8Cl2N2O 分子量: 185.12IUPAC Name: 2,2,3,3,5,5,6,6-octadeuteriopiperazine;dihydrochlorideSMILES: C1CNCCN1.Cl.ClInChIKey: CVVIJWRCGSYCMB-VHGLFXLXSA-NInChI: InChI=1S/C4H10N2.2ClH/c1-2-6-4-3-5-1;;/h5-6H,1-4H2;2*1H/i1D2,2D2,3D2,4D2;;
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异戊酸-d9CAS号 : 344298-81-3分子式: C5HD9O2 分子量: 111.19IUPAC Name: 2,2,3,4,4,4-hexadeuterio-3-(trideuteriomethyl)butanoic acidSMILES: CC(C)CC(=O)OInChIKey: GWYFCOCPABKNJV-CBZKUFJVSA-NInChI: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/i1D3,2D3,3D2,4D
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异烟肼-d4CAS号 : 774596-24-6分子式: C6H3D4N3O 分子量: 141.16IUPAC Name: 2,3,5,6-tetradeuteriopyridine-4-carbohydrazideSMILES: C1=CN=CC=C1C(=O)NNInChIKey: QRXWMOHMRWLFEY-RHQRLBAQSA-NInChI: InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)/i1D,2D,3D,4D
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磺胺二甲嘧啶-d4CAS号 : 1020719-82-7 Compound CID : 45040438分子式: C12H10D4N4O2S 分子量: 282.35IUPAC Name: 4-amino-2,3,5,6-tetradeuterio-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamideSMILES: CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)CInChIKey: ASWVTGNCAZCNNR-LNFUJOGGSA-NInChI: InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)/i3D,4D,5D,6D
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2-甲苯胺-d7CAS号 : 68408-22-0分子式: C₇H₂D₇N 分子量: 114.20IUPAC Name: N,N,2,3,4,5-hexadeuterio-6-(trideuteriomethyl)anilineSMILES: CC1=CC=CC=C1NInChIKey: RNVCVTLRINQCPJ-LLZDZVHOSA-NInChI: InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3/i1D3,2D,3D,4D,5D/hD2
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4-硝基苯甲酸-d4CAS号 : 171777-66-5分子式: C7HD4NO4 分子量: 171.14IUPAC Name: 2,3,5,6-tetradeuterio-4-nitrobenzoic acidSMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]InChIKey: OTLNPYWUJOZPPA-RHQRLBAQSA-NInChI: InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)/i1D,2D,3D,4D
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N,α-二苯基苯并三唑甲胺，Bt1 和 Bt2 异构体的混合物CAS号 : 1217802-18-0 Compound CID : 71311145分子式: C19H16N4 分子量: 602.7IUPAC Name: N-[3a,7a-dihydrobenzotriazol-1-yl(phenyl)methyl]aniline;N-[benzotriazol-2-yl(phenyl)methyl]anilineSMILES: C1=CC=C(C=C1)C(NC2=CC=CC=C2)N3C4C=CC=CC4N=N3.C1=CC=C(C=C1)C(NC2=CC=CC=C2)N3N=C4C=CC=CC4=N3InChIKey: QWHOMMASBXBEIY-UHFFFAOYSA-NInChI: InChI=1S/C19H18N4.C19H16N4/c1-3-9-15(10-4-1)19(20-16-11-5-2-6-12-16)23-18-14-8-7-13-17(18)21-22-23;1-3-9-15(10-4-1)19(20-16-11-5-2-6-12-16)23-21-17-13-7-8-14-18(17)22-23/h1-14,17-20H;1-14,19-20H
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乙醇-1,1,2,2-d₄-胺CAS号 : 85047-08-1分子式: C2H3D4NO 分子量: 65.11IUPAC Name: 2-amino-1,1,2,2-tetradeuterioethanolSMILES: C(CO)NInChIKey: HZAXFHJVJLSVMW-LNLMKGTHSA-NInChI: InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2/i1D2,2D2
