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DEET-d10CAS号 : 1215576-01-4分子式: C12H7D10NO 分子量: 201.33IUPAC Name: 3-methyl-N,N-bis(1,1,2,2,2-pentadeuterioethyl)benzamideSMILES: CCN(CC)C(=O)C1=CC=CC(=C1)CInChIKey: MMOXZBCLCQITDF-IZUSZFKNSA-NInChI: InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3/i1D3,2D3,4D2,5D2
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丙咪嗪-d6CAS号 : 65100-45-0 Compound CID : 45039560分子式: C19H18D6N2 分子量: 286.44IUPAC Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-bis(trideuteriomethyl)propan-1-amineSMILES: CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31InChIKey: BCGWQEUPMDMJNV-WFGJKAKNSA-NInChI: InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3/i1D3,2D3
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左氧氟沙星-d8CAS号 : 1217716-71-6 Compound CID : 46782054分子式: C18H12D8FN3O4 分子量: 369.42IUPAC Name: (2S)-7-fluoro-2-methyl-6-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acidSMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)OInChIKey: GSDSWSVVBLHKDQ-FMBBTWBHSA-NInChI: InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1/i3D2,4D2,5D2,6D2
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盐酸环丙沙星-d8CAS号 : 1216659-54-9 Compound CID : 49849586分子式: C17H11D8ClFN3O3 分子量: 375.85IUPAC Name: 1-cyclopropyl-6-fluoro-7-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochlorideSMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.ClInChIKey: DIOIOSKKIYDRIQ-JCYLEXHWSA-NInChI: InChI=1S/C17H18FN3O3.ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;/h7-10,19H,1-6H2,(H,23,24);1H/i3D2,4D2,5D2,6D2;
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紫杉醇-d5CAS号 : 1129540-33-5 Compound CID : 25191011分子式: C47H46D5NO14 分子量: 858.94IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2,3,4,5,6-pentadeuteriobenzoyl)amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoateSMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)CInChIKey: RCINICONZNJXQF-JQTCHTAZSA-NInChI: InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1/i8D,12D,13D,18D,19D
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肉豆蔻酸-1-（¹³C）CAS号 : 57677-52-8 Compound CID : 16213484分子式: C13(13C)H28O2 分子量: 229.36IUPAC Name: (113C)tetradecanoic acidSMILES: CCCCCCCCCCCCCC(=O)OInChIKey: TUNFSRHWOTWDNC-UJKGMGNHSA-NInChI: InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/i14+1
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青霉素V-d5CAS号 : 1356837-87-0 Compound CID : 45040190分子式: C16H13D5N2O5S 分子量: 355.42IUPAC Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-(2,3,4,5,6-pentadeuteriophenoxy)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidSMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)CInChIKey: BPLBGHOLXOTWMN-DHJOJNDJSA-NInChI: InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1/i3D,4D,5D,6D,7D
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18-羟基皮质酮-9,11,12,12-d₄CAS号 : 1257742-38-3分子量: 366.48SMILES: [2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]4CC[C@H](C(=O)CO)[C@@]14COInChIKey: HFSXHZZDNDGLQN-NREATFFYSA-NInChI: 1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1/i9D2,17D,19D
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1α,25-二羟基维生素D3-26,26,26,27,27,27-d₆溶液CAS号 : 78782-99-7 Compound CID : 13019073分子式: C27H44O3 分子量: 422.67IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diolSMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)CInChIKey: GMRQFYUYWCNGIN-HLEVXKMQSA-NInChI: InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1/i3D3,4D3
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25-羟基维生素 D₂ (6,19,19-d₃) 溶液CAS号 : 1217467-39-4 Compound CID : 71310751分子式: C28D3H41O2 分子量: 415.67IUPAC Name: (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-olSMILES: [2H]/C([2H])=C1CC[C@H](O)CC\1=C([2H])\C=C2/CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)\C=C\[C@H](C)C(C)(C)OInChIKey: KJKIIUAXZGLUND-ABHIMYCLSA-NInChI: InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9?,22-12+,23-13+/t20-,21+,24+,25-,26+,28-/m1/s1/i1D2,13D
