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异丙醇二甲基铝分子式: C₅H₁₃AlO 分子量: 116.14IUPAC Name: (5E)-1-(4-bromo-3-methylphenyl)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trioneSMILES: CC1=C(C=CC(=C1)N2C(=O)C(=CC3=C(C(=CC(=C3)Cl)OC)O)C(=O)NC2=O)BrInChIKey: MNMGIIHDFQDVBS-NTUHNPAUSA-NInChI: InChI=1S/C19H14BrClN2O5/c1-9-5-12(3-4-14(9)20)23-18(26)13(17(25)22-19(23)27)7-10-6-11(21)8-15(28-2)16(10)24/h3-8,24H,1-2H3,(H,22,25,27)/b13-7+
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双（N，N''-二异丙基乙酰胺基）钴（II）CAS号 : 635680-58-9 Compound CID : 131698360分子式: C16H34CoN4 分子量: 341.4IUPAC Name: cobalt(2+);(C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanideSMILES: CC(C)[N-]C(=NC(C)C)C.CC(C)[N-]C(=NC(C)C)C.[Co+2]InChIKey: GGJSAIZRJFXGKE-UHFFFAOYSA-NInChI: InChI=1S/2C8H17N2.Co/c2*1-6(2)9-8(5)10-7(3)4;/h2*6-7H,1-5H3;/q2*-1;+2
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双（Nt-丁基-N''-乙基丙酰胺基酰胺）钴（II）CAS号 : 1011477-51-2 Compound CID : 121237759分子式: C18H38CoN4 分子量: 369.45IUPAC Name: tert-butyl-(C,N-diethylcarbonimidoyl)azanide;cobalt(2+)SMILES: CCC(=NCC)[N-]C(C)(C)C.CCC(=NCC)[N-]C(C)(C)C.[Co+2]InChIKey: QTNRTWOXQDQUBS-UHFFFAOYSA-NInChI: InChI=1S/2C9H19N2.Co/c2*1-6-8(10-7-2)11-9(3,4)5;/h2*6-7H2,1-5H3;/q2*-1;+2
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二羰基双（N，N-二叔丁基乙酰胺基）钌（II）CAS号 : 949113-49-9 Compound CID : 131698367分子式: C22H42N4O2Ru 分子量: 495.67IUPAC Name: tert-butyl-(N-tert-butyl-C-methylcarbonimidoyl)azanide;carbon monoxide;ruthenium(2+)SMILES: CC(=NC(C)(C)C)[N-]C(C)(C)C.CC(=NC(C)(C)C)[N-]C(C)(C)C.[C-]#[O+].[C-]#[O+].[Ru+2]InChIKey: QOTPFYAVSNZFFL-UHFFFAOYSA-NInChI: InChI=1S/2C10H21N2.2CO.Ru/c2*1-8(11-9(2,3)4)12-10(5,6)7;2*1-2;/h2*1-7H3;;;/q2*-1;;;+2
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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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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;
