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小分子和化合物库
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地昔帕明-2,4,6,8-d4盐酸盐CAS号: 61361-34-0分子式: C18H19D4ClN2 分子量: 306.87IUPAC Name: N-methyl-3-(1,3,8,10-tetradeuterio-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;hydrochlorideSMILES: CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31.ClInChIKey: XAEWZDYWZHIUCT-TUJKZWLVSA-NInChI: 1S/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H/i2D,3D,9D,10D;
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D -葡萄糖-1-¹³CCAS号: 40762-22-9分子式: 13CC5H12O6 分子量: 181.15IUPAC Name: (3R,4S,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-USBRANDWSA-NInChI: 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/i6+1
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乙二胺四乙酸分子式: C10H16N2O8 分子量: 292.24IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acidSMILES: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)OInChIKey: KCXVZYZYPLLWCC-UHFFFAOYSA-NInChI: 1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
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甘氨酸-2-13CCAS号: 20220-62-6分子式: H2N13CH2CO2H 分子量: 76.06IUPAC Name: 2-aminoacetic acidSMILES: C(C(=O)O)NInChIKey: DHMQDGOQFOQNFH-OUBTZVSYSA-NInChI: 1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+1
