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[1-13C]-α-D-吡喃半乳糖磷酸二钾盐CAS号: 478518-78-4 Compound CID : 90472755分子式: (13-C)C5H11O9PK2 分子量: 337.31IUPAC Name: dipotassium;[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(213C)oxan-2-yl] phosphateSMILES: C(C1C(C(C(C(O1)OP(=O)([O-])[O-])O)O)O)O.[K+].[K+]InChIKey: KCIDZIIHRGYJAE-HLZBLTOGSA-LInChI: 1S/C6H13O9P.2K/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;/h2-10H,1H2,(H2,11,12,13);;/q;2*+1/p-2/t2-,3+,4+,5-,6-;;/m1../s1/i6+1;;
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龙胆紫-d6CAS号: 1266676-01-0分子式: C25H24D6ClN3 分子量: 414.02IUPAC Name: [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-bis(trideuteriomethyl)azanium;chlorideSMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]InChIKey: ZXJXZNDDNMQXFV-TXHXQZCNSA-MInChI: 1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1/i1D3,2D3;
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Nudifloramide-d3CAS号: 1207384-48-2分子式: C7H5D3N2O2 分子量: 155.17IUPAC Name: 6-oxo-1-(trideuteriomethyl)pyridine-3-carboxamideSMILES: CN1C=C(C=CC1=O)C(=O)NInChIKey: JLQSXXWTCJPCBC-FIBGUPNXSA-NInChI: 1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)/i1D3
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rac-变肾上腺素-d3盐酸盐CAS号: 1215507-88-2 Compound CID : 46782135分子式: C10H13D3ClNO3 分子量: 236.71IUPAC Name: 4-[1-hydroxy-2-(trideuteriomethylamino)ethyl]-2-methoxyphenol;hydrochlorideSMILES: CNCC(C1=CC(=C(C=C1)O)OC)O.ClInChIKey: HRIQFVCFOPJYEQ-NIIDSAIPSA-NInChI: 1S/C10H15NO3.ClH/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2;/h3-5,9,11-13H,6H2,1-2H3;1H/i1D3;
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度琉平-d3CAS号: 136765-31-6分子式: C19H18D3NS 分子量: 298.46IUPAC Name: (3E)-N,N-dimethyl-3-(1,2,3-trideuterio-6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amineSMILES: CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31InChIKey: PHTUQLWOUWZIMZ-TVUQWVDKSA-NInChI: 1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+/i5D,6D,10D
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氨氯地平-d4马来酸盐CAS号: 1185246-15-4分子式: C24H25D4ClN2O9 分子量: 528.97IUPAC Name: (Z)-but-2-enedioic acid;3-O-ethyl 5-O-methyl 2-[(2-amino-1,1,2,2-tetradeuterioethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylateSMILES: NC([2H])([2H])C([2H])([2H])OCC1=C(C(OCC)=O)C(C2=CC=CC=C2Cl)C(C(OC)=O)=C(C)N1.O=C(O)/C=C\C(O)=OInChIKey: TZNOWAJJWCGILX-IBTKSTAFSA-NInChI: 1S/C20H25ClN2O5.C4H4O4/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;5-3(6)1-2-4(7)8/h5-8,17,23H,4,9-11,22H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/i9D2,10D2;
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西咪替丁-d3（Cimetidine-d3）CAS号: 1185237-29-9分子式: C10H13D3N6S 分子量: 255.34IUPAC Name: 1-cyano-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-(trideuteriomethyl)guanidineSMILES: CC1=C(N=CN1)CSCCNC(=NC)NC#NInChIKey: AQIXAKUUQRKLND-BMSJAHLVSA-NInChI: 1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)/i2D3
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4'-羟基双氯芬酸-D4CAS号: 254762-27-1分子式: C14H7D4Cl2NO3 分子量: 316.17IUPAC Name: 2-[2,3,4,5-tetradeuterio-6-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acidSMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)ClInChIKey: KGVXVPRLBMWZLG-RHQRLBAQSA-NInChI: 1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)/i1D,2D,3D,4D
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D-葡萄糖-2-¹³CCAS号: 105931-74-6分子式: C6H12O6 分子量: 181.15IUPAC Name: (3R,4S,5S,6R)-6-(hydroxymethyl)(313C)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-UKLRSMCWSA-NInChI: 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i5+1
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亚油酸-1-13CCAS号: 98353-71-0分子式: C1713CH32O2 分子量: 281.44IUPAC Name: (9Z,12Z)-(113C)octadeca-9,12-dienoic acidSMILES: CCCCCC=CCC=CCCCCCCCC(=O)OInChIKey: OYHQOLUKZRVURQ-LKLZSCEKSA-NInChI: 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-/i18+1
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