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苯甲酸-2,3,4,5,6-d5CAS号: 1079-02-3分子式: C6D5CO2H 分子量: 127.15IUPAC Name: 2,3,4,5,6-pentadeuteriobenzoic acidSMILES: C1=CC=C(C=C1)C(=O)OInChIKey: WPYMKLBDIGXBTP-RALIUCGRSA-NInChI: 1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D
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奥司他韦-d3酸CAS号: 1242184-43-5分子式: C14H21D3N2O4 分子量: 287.37IUPAC Name: 5-amino-3-pentan-3-yloxy-4-[(2,2,2-trideuterioacetyl)amino]cyclohexene-1-carboxylic acidSMILES: CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OInChIKey: NENPYTRHICXVCS-HPRDVNIFSA-NInChI: 1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/i3D3
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三氯生-d3CAS号: 1020719-98-5 Compound CID : 45040608分子式: C12H4D3Cl3O2 分子量: 292.56IUPAC Name: 5-chloro-2-(2,4-dichloro-3,5,6-trideuteriophenoxy)phenolSMILES: C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)ClInChIKey: XEFQLINVKFYRCS-UXHGNOADSA-NInChI: 1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H/i1D,3D,5D
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乙胺丁醇-d4二盐酸盐CAS号: 1129526-19-7 Compound CID : 75125712分子式: C10H22D4Cl2N2O2 分子量: 281.26IUPAC Name: (2S)-2-[[1,1,2,2-tetradeuterio-2-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]amino]butan-1-ol;dihydrochlorideSMILES: CCC(CO)NCCNC(CC)CO.Cl.ClInChIKey: AUAHHJJRFHRVPV-QGTYBEAQSA-NInChI: 1S/C10H24N2O2.2ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;;/h9-14H,3-8H2,1-2H3;2*1H/t9-,10-;;/m0../s1/i5D2,6D2;;
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伊马替尼-d8CAS号: 1092942-82-9分子式: C29H23D8N7O 分子量: 501.65IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)methyl]benzamideSMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5InChIKey: KTUFNOKKBVMGRW-AZGHYOHESA-NInChI: See more
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奥美拉唑-d3CAS号: 922731-01-9分子式: C17H16D3N3O3S 分子量: 348.43IUPAC Name: 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-6-(trideuteriomethoxy)-1H-benzimidazoleSMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OCInChIKey: SUBDBMMJDZJVOS-HPRDVNIFSA-NInChI: 1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i3D3
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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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磺胺间甲氧嘧啶-d4CAS号: 1286538-12-2 Compound CID : 57369413分子式: C11H8D4N4O3S 分子量: 284.33IUPAC Name: 4-amino-2,3,5,6-tetradeuterio-N-(6-methoxypyrimidin-4-yl)benzenesulfonamideSMILES: COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NInChIKey: WMPXPUYPYQKQCX-QFFDRWTDSA-NInChI: 1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)/i2D,3D,4D,5D
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Captan-3,3,4,5,6,6-d₆CAS号: 1330190-00-5分子式: C9H8Cl3NO2S 分子量: 306.63IUPAC Name: 4,4,5,6,7,7-hexadeuterio-2-(trichloromethylsulfanyl)-3a,7a-dihydroisoindole-1,3-dioneSMILES: C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)ClInChIKey: LDVVMCZRFWMZSG-TZCZJOIZSA-NInChI: 1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2/i1D,2D,3D2,4D2
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DL-亮氨酸-d₁₀CAS号: 29909-01-1分子式: (CD3)2CDCD2CD(NH2)CO2H 分子量: 141.23IUPAC Name: 2-amino-2,3,3,4,5,5,5-heptadeuterio-4-(trideuteriomethyl)pentanoic acidSMILES: CC(C)CC(C(=O)O)NInChIKey: ROHFNLRQFUQHCH-SHJFKSRGSA-NInChI: 1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/i1D3,2D3,3D2,4D,5D
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L-赖氨酸-4,4,5,5-d₄盐酸盐CAS号: 284664-96-6分子式: C6H11D4ClN2O2 分子量: 186.67IUPAC Name: (2S)-2,6-diamino-4,4,5,5-tetradeuteriohexanoic acid;hydrochlorideSMILES: C(CCN)CC(C(=O)O)N.ClInChIKey: BVHLGVCQOALMSV-UGJIAQRQSA-NInChI: 1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1/i1D2,2D2;
