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褪黑素D4CAS号: 66521-38-8分子式: C13H12D4N2O2 分子量: 236.3IUPAC Name: N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideSMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OCInChIKey: DRLFMBDRBRZALE-NZLXMSDQSA-NInChI: 1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)/i5D2,6D2
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氘代十四烷CAS号: 204244-81-5分子式: C14D30 分子量: 228.57IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-triacontadeuteriotetradecaneSMILES: CCCCCCCCCCCCCCInChIKey: BGHCVCJVXZWKCC-XMMAUIQQSA-NInChI: 1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2
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雷奈酸锶分子式: C12H6N2O8SSr2 分子量: 513.49IUPAC Name: distrontium;5-[bis(carboxylatomethyl)amino]-3-(carboxylatomethyl)-4-cyanothiophene-2-carboxylateSMILES: C(C1=C(SC(=C1C#N)N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Sr+2].[Sr+2]InChIKey: XXUZFRDUEGQHOV-UHFFFAOYSA-JInChI: 1S/C12H10N2O8S.2Sr/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20;;/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22);;/q;2*+2/p-4
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ML 179,肝受体同源物1（LRH1）反向激动剂CAS号: 1883548-87-5 Compound CID : 75089674分子式: C21H25F3N4O2 分子量: 422.44IUPAC Name: 3-cyclohexyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-diazinane-2,4-dioneSMILES: C1CCC(CC1)N2C(=O)CC(NC2=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)FInChIKey: KTWKLBPBUXCXRG-UHFFFAOYSA-NInChI: 1S/C21H27F3N4O2/c22-21(23,24)15-5-4-8-17(13-15)26-9-11-27(12-10-26)18-14-19(29)28(20(30)25-18)16-6-2-1-3-7-16/h4-5,8,13,16,18H,1-3,6-7,9-12,14H2,(H,25,30)
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氯沙坦-d4羧酸CAS号: 1246820-62-1分子式: C22H17D4ClN6O2 分子量: 440.92IUPAC Name: 2-butyl-5-chloro-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acidSMILES: CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)ClInChIKey: ZEUXAIYYDDCIRX-IRYCTXJYSA-NInChI: 1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)/i9D,10D,11D,12D
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L-苯丙氨酸-d5CAS号: 56253-90-8分子式: C9D5H6NO2 分子量: 170.22IUPAC Name: (2S)-2-amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acidSMILES: C1=CC=C(C=C1)CC(C(=O)O)NInChIKey: COLNVLDHVKWLRT-HRVDQBBZSA-NInChI: 1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i1D,2D,3D,4D,5D
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羟基安非他酮-d8CAS号: 1309283-18-8分子式: C13H10D8ClNO2 分子量: 263.79IUPAC Name: 1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-[dideuterio(hydroxy)methyl]propan-2-yl]amino]propan-1-oneSMILES: CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)COInChIKey: AKOAEVOSDHIVFX-IBKKAOJUSA-NInChI: 1S/C13H18ClNO2/c1-9(15-13(2,3)8-16)12(17)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/i2D3,3D3,8D2
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R-(+)-Warfarin-d5CAS号: 773005-79-1 Compound CID : 75125732分子式: C19H11O4D5 分子量: 313.3IUPAC Name: 4-hydroxy-3-[(1R)-3-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)butyl]chromen-2-oneSMILES: CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)OInChIKey: PJVWKTKQMONHTI-VLGPFOJQSA-NInChI: 1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m1/s1/i2D,3D,4D,7D,8D
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