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小分子和化合物库
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氯化胆碱 d4 氯化物CAS号: 285979-70-6 Compound CID : 71309026分子式: C5H10D4ClNO 分子量: 143.65IUPAC Name: trimethyl-(1,1,2,2-tetradeuterio-2-hydroxyethyl)azanium;chlorideSMILES: [Cl-].[2H]C([2H])(O)C([2H])([2H])[N+](C)(C)CInChIKey: SGMZJAMFUVOLNK-HGFPCDIYSA-MInChI: 1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i4D2,5D2;
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大黄素-d4CAS号: 132796-52-2分子式: C15H6D4O5 分子量: 274.26IUPAC Name: 1-deuterio-4,5,7-trihydroxy-2-(trideuteriomethyl)anthracene-9,10-dioneSMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OInChIKey: RHMXXJGYXNZAPX-MZCSYVLQSA-NInChI: 1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3/i1D3,2D
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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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利奈唑胺 d3CAS号: 1127120-38-0分子式: C16H17D3FN3O4 分子量: 340.36IUPAC Name: 2,2,2-trideuterio-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamideSMILES: CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)FInChIKey: TYZROVQLWOKYKF-FUPFOCIHSA-NInChI: 1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1/i1D3
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DL-Cystine-d6CAS号: 352431-53-9分子式: C6H6D6N2O4S2 分子量: 246.34SMILES: NC(C(O)=O)([2H])C([2H])([2H])SSC([2H])([2H])C(N)([2H])C(O)=O
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甲硝唑-d3CAS号: 83413-09-6分子式: C6H6D3N3O3 分子量: 174.17SMILES: OCCN1C([N+]([O-])=O)=CN=C1C([2H])([2H])[2H]
