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小分子和化合物库
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棕榈酸-2,2-d₂CAS号: 62689-96-7分子式: C16H30D2O2 分子量: 258.44IUPAC Name: 2,2-dideuteriohexadecanoic acidSMILES: CCCCCCCCCCCCCCCC(=O)OInChIKey: IPCSVZSSVZVIGE-DOBBINOXSA-NInChI: 1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i15D2
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甲酰胺-d₃CAS号: 43380-64-9分子式: DCOND2 分子量: 48.06IUPAC Name: N,N,1-trideuterioformamideSMILES: C(=O)NInChIKey: ZHNUHDYFZUAESO-AYQNKDEESA-NInChI: 1S/CH3NO/c2-1-3/h1H,(H2,2,3)/i1D/hD2
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维生素D₂（6,19,19-d₃）溶液CAS号: 1217448-46-8分子式: C28D3H41O 分子量: 399.67IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-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: CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)CInChIKey: MECHNRXZTMCUDQ-OQGZBSKRSA-NInChI: See more
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肌酸-（甲基-d₃）一水合物CAS号: 284664-86-4 EC号: 200-306-6(unlabeled)分子式: C4H6D3N3O2•H2O 分子量: 134.151802IUPAC Name: 2-[carbamimidoyl(trideuteriomethyl)amino]acetic acid;hydrateSMILES: CN(CC(=O)O)C(=N)N.OInChIKey: MEJYXFHCRXAUIL-NIIDSAIPSA-NInChI: 1S/C4H9N3O2.H2O/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H2/i1D3;
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胆固醇-2,2,3,4,4,6-d₆CAS号: 92543-08-3分子式: C27H40D6O 分子量: 392.69IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-2,2,3,4,4,6-hexadeuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-olSMILES: [2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C1)[C@H](C)CCCC(C)CInChIKey: HVYWMOMLDIMFJA-HHPLMCQASA-NInChI: 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i9D,13D2,17D2,21D
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苄基-2,3,4,5,6-d₅醇CAS号: 68661-10-9分子式: C7H3D5O 分子量: 113.17IUPAC Name: (2,3,4,5,6-pentadeuteriophenyl)methanolSMILES: C1=CC=C(C=C1)COInChIKey: WVDDGKGOMKODPV-RALIUCGRSA-NInChI: 1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2/i1D,2D,3D,4D,5D
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苄基-d₇醇CAS号: 71258-23-6分子式: C7HD7O 分子量: 115.18IUPAC Name: dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methanolSMILES: C1=CC=C(C=C1)COInChIKey: WVDDGKGOMKODPV-XZJKGWKKSA-NInChI: 1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2/i1D,2D,3D,4D,5D,6D2
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马来酸-2,3-d₂CAS号: 24461-33-4分子式: C4H2D2O4 分子量: 118.08IUPAC Name: (Z)-2,3-dideuteriobut-2-enedioic acidSMILES: C(=CC(=O)O)C(=O)OInChIKey: VZCYOOQTPOCHFL-PBKRRWIGSA-NInChI: 1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-/i1D,2D
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非那西丁-d5CAS号: 69323-74-6分子式: C10H8D5NO2 分子量: 184.25IUPAC Name: N-(4-ethoxyphenyl)acetamideSMILES: CCOC1=CC=C(C=C1)NC(=O)CInChIKey: CPJSUEIXXCENMM-UHFFFAOYSA-NInChI: 1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
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油酸-9,10-d₂CAS号: 5711-29-5分子式: CH3(CH2)7CD=CD(CH2)7CO2H 分子量: 284.47IUPAC Name: (Z)-9,10-dideuteriooctadec-9-enoic acidSMILES: CCCCCCCCC=CCCCCCCCC(=O)OInChIKey: ZQPPMHVWECSIRJ-FGFBQCSHSA-NInChI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/i9D,10D
