小分子和化合物库
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咪鲜安CAS号: 67747-09-5 EC号: 266-994-5分子式: C15H16Cl3N3O2 分子量: 376.67IUPAC Name: N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamideSMILES: CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2InChIKey: TVLSRXXIMLFWEO-UHFFFAOYSA-NInChI: 1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
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(±)-可替宁-(甲基-d₃)CAS号: 110952-70-0分子式: C10D3H9N2O 分子量: 179.23IUPAC Name: 5-pyridin-3-yl-1-(trideuteriomethyl)pyrrolidin-2-oneSMILES: [2H]C([2H])([2H])N1C(CCC1=O)c2cccnc2InChIKey: UIKROCXWUNQSPJ-FIBGUPNXSA-NInChI: 1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/i1D3
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D-葡萄糖-¹³C₆,1,2,3,4,5,6,6-d₇CAS号: 201417-01-8分子式: 13C6H5D7O6 分子量: 193.15IUPAC Name: (2R,3S,4R,5R)-1,2,3,4,5,6,6-heptadeuterio-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-1-oneSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-VVZLUFAVSA-NInChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1D,2+1D2,3+1D,4+1D,5+1D,6+1D
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L-天冬氨酸-¹⁵N,2,3,3-d₃CAS号: 1308264-52-9分子式: HO2CCD2CD(15NH2)CO2H 分子量: 137.11SMILES: [2H]C([2H])(C(O)=O)[C@]([2H])([15NH2])C(O)=OInChIKey: CKLJMWTZIZZHCS-GJISNYTCSA-NInChI: 1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i1D2,2D,5+1
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3-O-甲基多巴-d3CAS号: 586954-09-8 EC号: 801-788-6分子式: C10H10D3NO4 分子量: 214.23IUPAC Name: 2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acidSMILES: COC1=C(C=CC(=C1)CC(C(=O)O)N)OInChIKey: PFDUUKDQEHURQC-UHFFFAOYSA-NInChI: 1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)
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