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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-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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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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雷尼替丁-d6，盐酸盐CAS号 : 1185238-09-8 Compound CID : 45040340分子式: C13H17D6ClN4O3S 分子量: 356.9IUPAC Name: (E)-1-N'-[2-[[5-[[bis(trideuteriomethyl)amino]methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine;hydrochlorideSMILES: CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.ClInChIKey: GGWBHVILAJZWKJ-DICWLCDHSA-NInChI: InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;/i2D3,3D3;
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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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Acyclovir-d4CAS号 : 1185179-33-2分子式: C8H7D4N5O3 分子量: 229.23IUPAC Name: 2-amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]-1H-purin-6-oneSMILES: C1=NC2=C(N1COCCO)N=C(NC2=O)NInChIKey: MKUXAQIIEYXACX-LNLMKGTHSA-NInChI: InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)/i1D2,2D2
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17α-Hydroxyprogesterone-d8CAS号 : 850023-80-2分子式: C21H22D8O3 分子量: 338.51SMILES: [2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@@]4(C(=O)C([2H])([2H])[2H])O)C)C
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芬苯达唑-d3CAS号 : 1228182-47-5分子式: C15H10D3N3O2S 分子量: 302.37IUPAC Name: trideuteriomethyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamateSMILES: COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3InChIKey: HDDSHPAODJUKPD-FIBGUPNXSA-NInChI: InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)/i1D3
