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瑞格列奈-乙基-d5CAS号: 1217709-85-7 Compound CID : 45040351分子式: C27H31D5N2O4 分子量: 457.62IUPAC Name: 4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]-2-(1,1,2,2,2-pentadeuterioethoxy)benzoic acidSMILES: CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)OInChIKey: FAEKWTJYAYMJKF-NTSVIFQKSA-NInChI: 1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1/i1D3,4D2
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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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米氮平-d3CAS号: 1216678-68-0分子式: C17H16D3N3 分子量: 268.38IUPAC Name: 5-(trideuteriomethyl)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaeneSMILES: CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4InChIKey: RONZAEMNMFQXRA-FIBGUPNXSA-NInChI: 1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3/i1D3
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缬沙坦 D9CAS号: 1089736-73-1分子式: C24H20D9N5O3 分子量: 444.57IUPAC Name: (2S)-3-methyl-2-[2,2,3,3,4,4,5,5,5-nonadeuteriopentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acidSMILES: CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)OInChIKey: ACWBQPMHZXGDFX-KDDXQTGLSA-NInChI: 1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1/i1D3,4D2,5D2,10D2
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肌肽-2,4,5,6-d4CAS号: 66148-17-2分子式: C9H6D4N2 分子量: 150.21IUPAC Name: 2,3,4,6-tetradeuterio-5-(3,4-dihydro-2H-pyrrol-5-yl)pyridineSMILES: C1CC(=NC1)C2=CN=CC=C2InChIKey: DPNGWXJMIILTBS-DNZPNURCSA-NInChI: 1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2/i1D,3D,5D,7D
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肌醇-d6CAS号: 68922-44-1分子式: C6H6D6O6 分子量: 186.19IUPAC Name: 1,2,3,4,5,6-hexadeuteriocyclohexane-1,2,3,4,5,6-hexolSMILES: C1(C(C(C(C(C1O)O)O)O)O)OInChIKey: CDAISMWEOUEBRE-MZWXYZOWSA-NInChI: 1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/i1D,2D,3D,4D,5D,6D
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苯乙酰基-d5 L-谷氨酰胺CAS号: 1331909-01-3 Compound CID : 13728880分子式: C13H11D5N2O4 分子量: 269.31IUPAC Name: (2S)-5-amino-5-oxo-2-[[2-(2,3,4,5,6-pentadeuteriophenyl)acetyl]amino]pentanoic acidSMILES: C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)OInChIKey: JFLIEFSWGNOPJJ-CJMNRESHSA-NInChI: 1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1/i1D,2D,3D,4D,5D
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脱氧鹅胆酸-2,2,4,4-d4CAS号: 99102-69-9分子式: C24H36D4O4 分子量: 396.6IUPAC Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acidSMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)CInChIKey: RUDATBOHQWOJDD-PSTGXAJBSA-NInChI: 1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1/i8D2,12D2
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5-甲基-N-苯基-2-1H-吡啶酮-d5CAS号: 1020719-62-3分子式: C12H6D5NO 分子量: 190.25IUPAC Name: 5-methyl-1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-oneSMILES: CC1=CN(C(=O)C=C1)C2=CC=CC=C2InChIKey: ISWRGOKTTBVCFA-VIQYUKPQSA-NInChI: 1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3/i2D,3D,4D,5D,6D
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N-去甲基氯米帕明-d3盐酸盐CAS号: 1189971-04-7 Compound CID : 46781158分子式: C18H19D3Cl2N2 分子量: 340.31IUPAC Name: 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-(trideuteriomethyl)propan-1-amine;hydrochlorideSMILES: CNCCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl.ClInChIKey: KMDDAZOLOSKTKZ-NIIDSAIPSA-NInChI: 1S/C18H21ClN2.ClH/c1-20-11-4-12-21-17-6-3-2-5-14(17)7-8-15-9-10-16(19)13-18(15)21;/h2-3,5-6,9-10,13,20H,4,7-8,11-12H2,1H3;1H/i1D3;
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1,4-二氨基丁烷-2,2,3,3-d₄ 二盐酸盐CAS号: 88972-24-1 Compound CID : 12246166分子式: H2NCH2CD2CD2CH2NH2·2HCl 分子量: 165.1IUPAC Name: 2,2,3,3-tetradeuteriobutane-1,4-diamine;dihydrochlorideSMILES: C(CCN)CN.Cl.ClInChIKey: XXWCODXIQWIHQN-RIZDZYNXSA-NInChI: 1S/C4H12N2.2ClH/c5-3-1-2-4-6;;/h1-6H2;2*1H/i1D2,2D2;;
