小分子和化合物库
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伊曲康唑-d5 (主要)CAS号: 1217510-38-7分子式: C35H33D5Cl2N8O4 分子量: 710.66IUPAC Name: 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(3,3,4,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-oneSMILES: CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)ClInChIKey: VHVPQPYKVGDNFY-VXTATNQMSA-NInChI: See more
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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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4-羟基-TEMPO-d₁₇CAS号: 100326-46-3分子式: C9H18NO2 分子量: 189.35SMILES: CC1(CC(CC(N1[O])(C)C)O)CInChIKey: UZFMOKQJFYMBGY-DEMDKEALSA-NInChI: 1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,7D
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Fmoc-Gly-OH-¹³C₂,¹⁵NCAS号: 285978-13-4分子式: (H15N-Fmoc)13CH213CO2H 分子量: 300.28IUPAC Name: 2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)acetic acidSMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC(=O)OInChIKey: NDKDFTQNXLHCGO-KBBTWOTBSA-NInChI: 1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)/i9+1,16+1,18+1
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甘氨酸-1-¹³C,¹⁵NCAS号: 112898-03-0分子式: H215NCH213CO2H 分子量: 77.05IUPAC Name: 2-(15N)azanylacetic acidSMILES: C(C(=O)O)NInChIKey: DHMQDGOQFOQNFH-SUEIGJEOSA-NInChI: 1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i2+1,3+1
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甘氨酸-¹³C₂,¹⁵NCAS号: 211057-02-2分子式: H215N13CH213CO2H 分子量: 78.05IUPAC Name: 2-(15N)azanylacetic acidSMILES: C(C(=O)O)NInChIKey: DHMQDGOQFOQNFH-VMIGTVKRSA-NInChI: 1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+1,2+1,3+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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