代谢酶/蛋白酶
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N-去甲基氯氮平-d8CAS号: 1189888-77-4分子式: C17H9D8ClN4 分子量: 320.85IUPAC Name: 3-chloro-6-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepineSMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: JNNOSTQEZICQQP-UFBJYANTSA-NInChI: 1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2/i7D2,8D2,9D2,10D2
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异戊酸-d9CAS号: 344298-81-3分子式: C5HD9O2 分子量: 111.19IUPAC Name: 2,2,3,4,4,4-hexadeuterio-3-(trideuteriomethyl)butanoic acidSMILES: CC(C)CC(=O)OInChIKey: GWYFCOCPABKNJV-CBZKUFJVSA-NInChI: 1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/i1D3,2D3,3D2,4D
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芬苯达唑-d3CAS号: 1228182-47-5分子式: C15H10D3N3O2S 分子量: 302.37IUPAC Name: trideuteriomethyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamateSMILES: COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3InChIKey: HDDSHPAODJUKPD-FIBGUPNXSA-NInChI: 1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)/i1D3
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呋喃唑酮代谢物-d4CAS号: 1188331-23-8分子式: C3H2D4N2O2 分子量: 106.12InChIKey: KYCJNIUHWNJNCT-LNLMKGTHSA-NInChI: 1S/C3H6N2O2/c4-5-1-2-7-3(5)6/h1-2,4H2/i1D2,2D2
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吲哚-d7CAS号: 73509-20-3分子式: C8D7N 分子量: 124.19IUPAC Name: 1,2,3,4,5,6,7-heptadeuterioindoleSMILES: [2H]C1=C(C(=C2C(=C1[2H])C(=C(N2[2H])[2H])[2H])[2H])[2H]InChIKey: SIKJAQJRHWYJAI-HOSXNMPPSA-NInChI: 1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H/i1D,2D,3D,4D,5D,6D/hD
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4-羟基苯甲醛-2,3,5,6-d4CAS号: 284474-52-8分子式: C 7H2D4O2 分子量: 126.15IUPAC Name: 2,3,5,6-tetradeuterio-4-hydroxybenzaldehydeSMILES: C1=CC(=CC=C1C=O)OInChIKey: RGHHSNMVTDWUBI-RHQRLBAQSA-NInChI: 1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H/i1D,2D,3D,4D
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DL-谷氨酸-2,4,4-D3CAS号: 96927-56-9分子式: C5H6D3NO4 分子量: 150.15SMILES: OC(C([2H])([2H])CC(N)([2H])C(O)=O)=O
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乙酰基-L-肉碱-d3 盐酸盐CAS号: 1334532-17-0分子式: C9H15D3ClNO4 分子量: 242.72IUPAC Name: (3R)-3-acetyloxy-4-[dimethyl(trideuteriomethyl)azaniumyl]butanoate;hydrochlorideSMILES: CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C.ClInChIKey: JATPLOXBFFRHDN-WVKKGGDISA-NInChI: 1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m1./s1/i2D3;
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对乙酰氨基酚-d3CAS号: 60902-28-5分子式: C8H6D3NO2 分子量: 154.18IUPAC Name: 2,2,2-trideuterio-N-(4-hydroxyphenyl)acetamideSMILES: CC(=O)NC1=CC=C(C=C1)OInChIKey: RZVAJINKPMORJF-FIBGUPNXSA-NInChI: 1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)/i1D3
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