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酞磺胺噻唑分子式: C17H13N3O5S2 分子量: 403.43IUPAC Name: 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acidSMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)OInChIKey: PBMSWVPMRUJMPE-UHFFFAOYSA-NInChI: InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)
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奥司他韦-d3酸CAS号 : 1242184-43-5 Compound CID : 71434284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: InChI=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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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: InChI=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 Compound CID : 25235773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: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)/i14D2,15D2,16D2,17D2
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奥美拉唑-d3CAS号 : 922731-01-9 Compound CID : 45040154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: InChI=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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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: InChI=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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艾沙康唑-D4CAS号 : 1346598-58-0 Compound CID : 71749534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: InChI=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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Captan-3,3,4,5,6,6-d₆CAS号 : 1330190-00-5 Compound CID : 71314499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: InChI=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 Compound CID : 16213561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: InChI=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 Compound CID : 71310290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: InChI=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;
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月桂酸-d₂₃酸CAS号 : 59154-43-7 Compound CID : 16212944分子式: C12HD23O2 分子量: 223.46IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosadeuteriododecanoic acidSMILES: CCCCCCCCCCCC(=O)OInChIKey: POULHZVOKOAJMA-SJTGVFOPSA-NInChI: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2
