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L-甲硫氨酸-甲基-d3CAS号 : 13010-53-2 Compound CID : 15556503分子式: CD3SCH2CH2CH(NH2)CO2H 分子量: 152.23IUPAC Name: (2S)-2-amino-4-(trideuteriomethylsulfanyl)butanoic acidSMILES: CSCCC(C(=O)O)NInChIKey: FFEARJCKVFRZRR-OSIBIXDNSA-NInChI: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1D3
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D-葡萄糖-6,6-d2CAS号 : 18991-62-3 Compound CID : 12285871分子式: C6H10D2O6 分子量: 182.168IUPAC Name: (3R,4S,5S,6R)-6-[dideuterio(hydroxy)methyl]oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-VARZTKRMSA-NInChI: InChI=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/i1D2
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D-葡萄糖-1-dCAS号 : 106032-61-5 Compound CID : 12285889分子式: HOCH2[CHOH]4CDO 分子量: 181.16IUPAC Name: (3R,4S,5S,6R)-2-deuterio-6-(hydroxymethyl)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-QVTRYHEBSA-NInChI: InChI=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/i6D
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DL-苯基-D5-丙氨酸CAS号 : 284664-89-7 Compound CID : 13000995分子式: C9H6D5NO2 分子量: 170.22IUPAC Name: 2-amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acidSMILES: C1=CC=C(C=C1)CC(C(=O)O)NInChIKey: COLNVLDHVKWLRT-RALIUCGRSA-NInChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/i1D,2D,3D,4D,5D
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克伦特罗-D9CAS号 : 129138-58-5分子式: C12H9Cl2D9N2O 分子量: 286.24IUPAC Name: 1-(4-amino-3,5-dichlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]ethanolSMILES: CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)OInChIKey: STJMRWALKKWQGH-GQALSZNTSA-NInChI: InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3/i1D3,2D3,3D3
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罗苏伐他汀-d3钠盐CAS号 : 1279031-70-7 Compound CID : 45359102分子式: C22H24D3FN3O6S・Na 分子量: 506.54IUPAC Name: sodium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methylsulfonyl(trideuteriomethyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoateSMILES: CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Na+]InChIKey: RGEBGDYYHAFODH-SYRJKFITSA-MInChI: InChI=1S/C22H28FN3O6S.Na/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;+1/p-1/b10-9+;/t16-,17-;/m1./s1/i3D3;
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厄洛替尼-d6，盐酸盐CAS号 : 1189953-78-3 Compound CID : 46781490分子式: C22H18D6ClN3O4 分子量: 399.48 + 36.46IUPAC Name: N-(3-ethynylphenyl)-6,7-bis[2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine;hydrochlorideSMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.ClInChIKey: GTTBEUCJPZQMDZ-HVTBMTIBSA-NInChI: InChI=1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H/i2D3,3D3;
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芍药内酯苷CAS号 : 39011-90-0 Compound CID : 24868421分子式: C23H28O11 分子量: 480.46IUPAC Name: [(1R,3R,4R,6S,9S)-4-hydroxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoateSMILES: CC12CC(C3CC1(C3(C(=O)O2)COC(=O)C4=CC=CC=C4)OC5C(C(C(C(O5)CO)O)O)O)OInChIKey: QQUHMASGPODSIW-ICECTASOSA-NInChI: InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12-,13+,14+,15+,16-,17+,19-,21-,22-,23-/m0/s1
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1,10-菲咯啉-d₈CAS号 : 90412-47-8分子式: C12H8N2 分子量: 188.25IUPAC Name: 2,3,4,5,6,7,8,9-octadeuterio-1,10-phenanthrolineSMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1InChIKey: DGEZNRSVGBDHLK-PGRXLJNUSA-NInChI: InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
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1,2-丙二醇-d₈CAS号 : 80156-55-4分子式: CD3CD(OD)CD2OD 分子量: 84.14IUPAC Name: 1,1,1,2,3,3-hexadeuterio-2,3-dideuteriooxypropaneSMILES: CC(CO)OInChIKey: DNIAPMSPPWPWGF-INOGVRQUSA-NInChI: InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/i1D3,2D2,3D,4D,5D
