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己酮可可碱-d6CAS号: 1185878-98-1 Compound CID : 46782702分子式: C13H12D6N4O3 分子量: 284.34IUPAC Name: 1-(5-oxohexyl)-3,7-bis(trideuteriomethyl)purine-2,6-dioneSMILES: CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CInChIKey: BYPFEZZEUUWMEJ-XERRXZQWSA-NInChI: 1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3/i2D3,3D3
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布地奈德-d8CAS号: 1105542-94-6分子式: C25H26D8O6 分子量: 438.58IUPAC Name: (1S,2S,4R,8S,9S,11S,12S,13R)-6-deuterio-6-(1,1,2,2,3,3,3-heptadeuteriopropyl)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-oneSMILES: CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)CInChIKey: VOVIALXJUBGFJZ-SMANYZGRSA-NInChI: See more
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艾沙康唑-D4CAS号: 1346598-58-0分子式: C22H13D4F2N5OS 分子量: 441.49IUPAC Name: 2,3,5,6-tetradeuterio-4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrileSMILES: CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)OInChIKey: DDFOUSQFMYRUQK-KUXFOAEVSA-NInChI: 1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1/i2D,3D,4D,5D
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替米沙坦-d3CAS号: 1189889-44-8 Compound CID : 45040461分子式: C33H27D3N4O2 分子量: 517.64IUPAC Name: 2-[4-[[4-methyl-2-propyl-6-[1-(trideuteriomethyl)benzimidazol-2-yl]benzimidazol-1-yl]methyl]phenyl]benzoic acidSMILES: CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5CInChIKey: RMMXLENWKUUMAY-HPRDVNIFSA-NInChI: 1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)/i3D3
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氨磺必利-d5CAS号: 1216626-17-3分子式: C17H22D5N3O4S 分子量: 374.51IUPAC Name: 4-amino-5-ethylsulfonyl-2-methoxy-N-[[1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methyl]benzamideSMILES: CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CCInChIKey: NTJOBXMMWNYJFB-SGEUAGPISA-NInChI: 1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)/i1D3,4D2
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氯沙坦-d4CAS号: 1030937-27-9分子式: C22H19D4ClN6O 分子量: 426.94IUPAC Name: [2-butyl-5-chloro-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanolSMILES: CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)ClInChIKey: PSIFNNKUMBGKDQ-IRYCTXJYSA-NInChI: 1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)/i9D,10D,11D,12D
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氯氮平-d8CAS号: 1185053-50-2 EC号: 227-313-7 (unlabeled)分子式: C18H11D8ClN4 分子量: 334.87IUPAC Name: 3-chloro-6-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepineSMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: QZUDBNBUXVUHMW-JNJBWJDISA-NInChI: 1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3/i8D2,9D2,10D2,11D2
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甲氨蝶呤-甲基-d3CAS号: 432545-63-6分子式: C20H19D3N8O5 分子量: 457.46IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(trideuteriomethyl)amino]benzoyl]amino]pentanedioic acidSMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)OInChIKey: FBOZXECLQNJBKD-FUPFOCIHSA-NInChI: 1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1/i1D3
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盐酸阿利克仑-d6CAS号: 1246815-96-2分子式: C30H48D6ClN3O6 分子量: 594.26IUPAC Name: (2S,4S,5S,7S)-5-amino-N-[2-carbamoyl-3,3,3-trideuterio-2-(trideuteriomethyl)propyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;hydrochlorideSMILES: CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.ClInChIKey: BSJUIBZAXCXFMZ-CYLGTDGNSA-NInChI: See more
